SCHEMBL7401230

SCHEMBL7401230

OC(CCc1ccccc1C(F)(F)F)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.47
PTGFR P43088 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
PPARA Q07869 3/20 0.42
EPHX2 P34913 5/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
IDO1 P14902 2/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL448011 0.79 TRPA1 (0.56) PPARGPPARATRPA1
SCHEMBL5105980 0.77 TRPA1 (0.52) KDM4EPOLBTRPA1
SCHEMBL15319795 0.77 IDO1 (0.44) PTGFRALDH1A1GAAHDAC1HDAC8
SCHEMBL17671285 0.76 KDM4E (0.54) PPARGKDM4EALDH1A1ATMPPARA
SCHEMBL13849900 0.74 PPARG (0.45) PPARGPPARAEPHX2POLBIDO1
SCHEMBL14402485 0.74 PPARG (0.45) PPARGPPARAEPHX2POLBIDO1
SCHEMBL8418978 0.73 IDO1 (0.41) PTGFRKDM4EALDH1A1ATMGAA
SCHEMBL28702695 0.73 SIGMAR1 (0.52)
SCHEMBL17329111 0.73 IDO1 (0.59) KDM4EALDH1A1ATMPOLBHDAC1
SCHEMBL8030461 0.73 SLC6A2 (0.48) KDM4EALDH1A1ATMPOLBGAA

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-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed