SCHEMBL11261340

SCHEMBL11261340

Cc1c(CCc2ccccc2)c2cc(OC(C)(C)C(=O)O)ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.53
PPARA Q07869 4/20 0.49
PPARD Q03181 1/20 0.49
PLA2G4A P47712 1/20 0.47
PLA2G2A P14555 4/20 0.46
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PLA2G1B P04054 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
SCHEMBL11262300 0.89 PPARG (0.49) PPARGPPARAPPARDPLA2G4APLA2G2A
SCHEMBL11257449 0.87 PLA2G2A (0.52) PPARGPPARAPPARDPLA2G2AMEN1
SCHEMBL11497969 0.80 PTPN7 (0.50) PPARGPPARAPPARDPTPN7DUSP3
SCHEMBL11258718 0.79 PLA2G2A (0.50) PPARGPPARAPPARDPLA2G2AMEN1
SCHEMBL11389302 0.79 PPARG (0.53) PPARGPPARAPPARDPLA2G2AMEN1
SCHEMBL11252774 0.79 PLA2G2A (0.49) PPARGPPARAPLA2G2AMEN1KMT2A
SCHEMBL11265231 0.76 PTPN7 (0.46) PPARGPPARAPPARDPTPN7DUSP3
SCHEMBL11252321 0.76 SPR (0.53) PPARGPLA2G4APLA2G2AMEN1KMT2A
SCHEMBL11266787 0.75 PPARG (0.51) PPARGPPARAPPARDPLA2G2AMEN1
SCHEMBL11257941 0.75 LMNA (0.47) PPARGPPARAPPARDPTPN7DUSP3

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