SCHEMBL8214726

SCHEMBL8214726

Cc1cc(C(=O)CCC(=O)O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
USP5 P45974 1/20 0.50
NR4A2 P43354 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
MMP2 P08253 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11631620 0.86 KMT2A (0.59) KMT2ACYP1A2ALDH1A1CYP2C19HPGD
SCHEMBL12949980 0.85 HSD17B3 (0.50) L3MBTL1LMNARAB9AHTT
SCHEMBL5081102 0.85 KMT2A (0.63) KMT2ACYP1A2ALDH1A1CYP2C19HPGD
SCHEMBL6812061 0.84 HSD17B3 (0.58) KMT2AALDH1A1HPGDHSD17B10TSHR
SCHEMBL8402206 0.84 HSD17B3 (0.51) KMT2AALDH1A1L3MBTL1MEN1FFAR1
SCHEMBL9365461 0.83 GAA (0.57) KMT2ACYP1A2ALDH1A1CYP2C19HPGD
SCHEMBL30309808 0.83 GAA (0.57) KMT2ACYP1A2ALDH1A1CYP2C19HPGD
SCHEMBL29269279 0.82 ESR1 (0.41) KMT2ACYP1A2CYP2C19HPGDMEN1
SCHEMBL10764064 0.81 KMT2A (0.58) KMT2ACYP1A2ALDH1A1CYP2C19HPGD
SCHEMBL11536711 0.81 KMT2A (0.58) KMT2ACYP1A2ALDH1A1CYP2C19HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641811-A USING A 3-(SUBSTITUTED BENZOYLPROPIONIC ACID AS A TASTAND TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS, DRUGS; SUBSTITUTES BIORESEARCH INC. (US) 1997-06-24 US claimed
US-5631038-A COMPOUNDS (TASTANDS) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE ARE ADDED TO FOODS CONTAINING SODIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 US claimed
EP-0727150-A2 Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers BIORESEARCH, INC. (US) 1996-08-21 EP claimed
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP claimed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP claimed
WO-1993010677-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1993-06-10 WO claimed
US-6015792-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 2000-01-18 US disclosed
US-6008250-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1999-12-28 US disclosed
US-5866608-A AROMATIC COMPOUNDS BIORESEARCH, INC. (US) 1999-02-02 US disclosed
US-5703053-A TASTELESS INGESTIBLE COMPOUNDS WHICH REDUCE OR ELIMINATE UNDESIRABLE TASTES IN EATABLES BIORESEARCH, INC. (US) 1997-12-30 US disclosed
US-5700792-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1997-12-23 US disclosed
US-5665755-A NAPHTHO(1,2-D)IMIDAZOLE-5-SULFONATES (TASTANDS) USED TO REDUCE BITTER OR METALLIC TASTES; FOODS, DRUGS, ARTIFICIAL SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH INC. (US) 1997-09-09 US disclosed
US-5654311-A TASTANDS OF PYRIMIDINE DERIVATIVES, E.G. OROTIC ACID, TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH INC. (US) 1997-08-05 US disclosed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP disclosed
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP disclosed
EP-0178189-A2 Pyridazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-04-16 EP disclosed
EP-0156233-A2 Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions MERCK & CO. INC. (US) 1985-10-02 EP disclosed
EP-0156317-A2 Foodstuffs containing sweetness inhibiting agents and process for inhibiting the sweetness perception of a foodstuff GENERAL FOODS CORPORATION (US) 1985-10-02 EP disclosed
US-4544565-A ARYLALKYLKETONES GENERAL FOODS CORPORATION (US) 1985-10-01 US disclosed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP disclosed