SCHEMBL9533103

SCHEMBL9533103

Cc1cc(C)c2c(c1)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 2/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL10528257 0.87 NPC1 (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9531218 0.86 TSHR (0.44) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9531639 0.79 KMT2A (0.42) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9531990 0.78 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9530858 0.77 ALDH1A1 (0.48) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL10528248 0.76 NPC1 (0.41) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9530663 0.76 TSHR (0.40) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL9533227 0.76 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL8980424 0.76 KMT2A (0.44) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9533182 0.75 ALDH1A1 (0.47) KMT2ANPC1RAB9AMEN1MAPT

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-0277836-B1 THIAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-06-02 EP disclosed
US-4873255-A REDUCE BLOOD GLUCOSE AND BLOOD LIPID LEVELS SANKYO COMPANY LIMITED (JP) 1989-10-10 US disclosed
EP-0277836-A1 Thiazolidinone derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-08-10 EP disclosed