SCHEMBL11258718

SCHEMBL11258718

CCCn1c(C)c(CCc2ccc(OC)cc2)c2cc(OC(C)(C)C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.50
PPARG P37231 5/20 0.49
PPARA Q07869 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PPARD Q03181 2/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
PMP22 Q01453 2/20 0.46
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL11257449 0.92 PLA2G2A (0.52) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11389302 0.91 PPARG (0.53) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11257489 0.90 PLA2G2A (0.47) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11252774 0.83 PLA2G2A (0.49) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11263543 0.83 KDM4E (0.49) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11258391 0.82 PPARA (0.53) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11258878 0.81 PLA2G2A (0.47) PLA2G2AMEN1KMT2APOLBKDM4E
SCHEMBL11261340 0.79 PPARG (0.53) PLA2G2APPARGPPARAMEN1KMT2A
SCHEMBL11255132 0.79 GRIK2 (0.58) PPARGPPARAMEN1KMT2APOLB
SCHEMBL11266787 0.78 PPARG (0.51) PLA2G2APPARGPPARAMEN1KMT2A

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-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 EP disclosed
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 EP disclosed