SCHEMBL5268636

SCHEMBL5268636

CC(O)CCOC(=O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.49
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5268789 0.84 LMNA (0.62) MAPTLMNAALOX15HPGDNPC1
SCHEMBL166338 0.83 LMNA (0.64) TDP1LMNAHPGDALDH1A1
SCHEMBL28425775 0.81 RAB9A (0.64) TDP1MAPTLMNAALOX15HPGD
SCHEMBL21381318 0.81 RARB (0.55) TDP1MAPTALOX15HPGD
SCHEMBL4563082 0.80 ALOX15 (0.55) TDP1MAPTLMNAALOX15HPGD
SCHEMBL8420559 0.80 KCNA3 (0.61) TDP1ALOX15SMN1; SMN2NPC1TSHR
SCHEMBL13444676 0.80 KCNA3 (0.61) TDP1ALOX15SMN1; SMN2NPC1TSHR
SCHEMBL10511811 0.79 MAPT (0.54) TDP1MAPTLMNAALOX15HPGD
Formic Acid SCHEMBL27596947 0.79 LMNA (0.55) TDP1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL28158171 0.78 ALOX15 (0.56) TDP1MAPTALOX15HPGDL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310512-A Derivatives of acetic and propionic acids, compositions containing same and use as malodor counteractants BUSH BOAKE ALLEN INC. (US) 1982-01-12 US claimed
EP-1167507-B1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC (US) 2007-10-10 EP disclosed
US-6432891-B1 INTRODUCING INTO SOLID OR LIQUID, SOAP OR DETERGENT COMPOUND SELECTED FROM 1-CYCLOHEXYL-ETHYLBUTYRATE, 1-CYCLOHEXYL-ETHYLACETATE, 1-CYCLOHEXYL-ETHANOL, 4-ISOPROPYL-CYCLOHEXYLPROPIONATE BUSH BOAKE ALLEN INC., 2002-08-13 US disclosed
US-20020032131-A1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-03-14 US disclosed
EP-1167507-A2 Malodor counteractant compositions and methods for preparing and using same Bush Boake Allen Inc. (US) 2002-01-02 EP disclosed