SCHEMBL9614213

SCHEMBL9614213

COc1ccc(CCCCCC(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.56
PPARG P37231 8/20 0.56
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.43
LDHA P00338 1/20 0.43
CTRC Q99895 1/20 0.42

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
SCHEMBL9696319 0.95 PPARG (0.61) PPARAPPARGNR1H4CTRC
SCHEMBL9696474 0.91 PPARG (0.56) PPARAPPARGNR1H4CTRC
SCHEMBL9614239 0.90 PPARG (0.63) PPARAPPARGCTRC
SCHEMBL9696796 0.90 PPARG (0.63) PPARAPPARGCTRC
SCHEMBL9614193 0.89 PPARA (0.73) PPARAPPARG
SCHEMBL9614218 0.89 PPARA (0.73) PPARAPPARG
SCHEMBL10420385 0.86 PPARA (0.60) PPARAPPARGL3MBTL1ALDH1A1LMNA
SCHEMBL10419347 0.86 PPARG (0.67) PPARAPPARGNPC1RAB9AL3MBTL1
SCHEMBL9695316 0.85 PPARA (0.78) PPARAPPARG
SCHEMBL9696483 0.84 PPARA (0.81) PPARAPPARG

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
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed