SCHEMBL6264258

SCHEMBL6264258

CCc1ccc2[nH]c(OC(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
FFAR1 O14842 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
DAO P14920 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL3418659 0.80 PIN1 (0.58) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL5155719 0.78 SMAD3 (0.57)
SCHEMBL6660937 0.77 HTT (0.49) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL3419450 0.77 PDGFRB (0.60) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL3412727 0.76 F7 (0.58) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL3381954 0.76 FLT3 (0.48) FFAR1KMT2AMEN1NPC1HRH3
SCHEMBL3414863 0.76 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1144864 0.76 PIN1 (0.63) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL6517075 0.74 KDM4E (0.63) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL1833251 0.74 KDM4E (0.55) KDM4ERAB9ANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599203-B1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-10-23 EP disclosed
EP-1599203-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
WO-2004075891-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed