SCHEMBL10939744

SCHEMBL10939744

COC(=O)c1c[nH]c(C(=O)c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 6/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.51
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
NR4A2 P43354 2/20 0.47
ABL1 P00519 1/20 0.46
SRD5A2 P31213 1/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL10942225 0.85 ALDH1A1 (0.60) NPC1RAB9AALDH1A1GAANR4A2
SCHEMBL10940167 0.83 HTT (0.68) HTTNPC1RAB9AALDH1A1GAA
SCHEMBL10946156 0.83 NPC1 (0.61) HTTNPC1RAB9AALDH1A1GAA
SCHEMBL10945693 0.80 MAPK7 (0.50) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL608814 0.76 ABL1 (0.68) NPC1RAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL21802604 0.75 MAP2K1 (0.45) HTTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL10937651 0.75 ALDH1A1 (0.62) HTTCYP1A2CYP2C19ALDH1A1GAA
SCHEMBL29190963 0.74 ALDH1A1 (0.70) HTTNPC1RAB9AALDH1A1GAA
SCHEMBL29191090 0.74 ALDH1A1 (0.68) HTTNPC1RAB9AALDH1A1GAA
SCHEMBL10937230 0.74 MAPK14 (0.58) ALDH1A1GAALMNABAZ2BBAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed