SCHEMBL9733772

SCHEMBL9733772

CN(C)C(=O)Sc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
USP5 P45974 1/20 0.50
NR4A2 P43354 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 3/20 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
ALDH1A1 P00352 4/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
MMP2 P08253 2/20 0.43
MMP12 P39900 2/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL10691601 0.83 ALDH1A1 (0.43) KMT2AL3MBTL1CYP1A2LMNAALDH1A1
SCHEMBL20244667 0.78 ALDH1A1 (0.53) KMT2AL3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL5717808 0.78 KMT2A (0.63) KMT2AUSP5NR4A2L3MBTL1CYP1A2
SCHEMBL10792559 0.77 ALDH1A1 (0.46) RAB9ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL10884661 0.77 NR4A2 (0.63) KMT2AUSP5NR4A2L3MBTL1CYP1A2
SCHEMBL10353454 0.76 NR4A2 (0.81) KMT2AUSP5NR4A2L3MBTL1CYP1A2
SCHEMBL8165291 0.76 ALDH1A1 (0.45) L3MBTL1CYP1A2RAB9ASMN1; SMN2HIF1A
SCHEMBL9711117 0.75 HPGD (0.57) KMT2AL3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL6541372 0.75 CA2 (0.47) FFAR1LMNAHIF1AALDH1A1GAA
SCHEMBL28861673 0.75 HPGD (0.55) KMT2AL3MBTL1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed
US-4876246-A Benzo[a]phenothiazines and hydro-derivatives for inhibiting leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1989-10-24 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-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-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP disclosed