SCHEMBL8745263

SCHEMBL8745263

OCCc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PDE2A O00408 1/20 0.44
P2RX7 Q99572 6/20 0.41
KCNH2 Q12809 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
PDK2 Q15119 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL1569028 0.90 EPHX2 (0.45) EPHX2PDE2AP2RX7KCNH2TMEM97
SCHEMBL2447332 0.86 EPHX2 (0.50) EPHX2PDE2AP2RX7HCRTR1HCRTR2
SCHEMBL8926703 0.83 EPHX2 (0.44) EPHX2PDE2AP2RX7KCNH2TMEM97
SCHEMBL13557302 0.83 PDE2A (0.44) EPHX2PDE2AKCNH2TMEM97SIGMAR1
SCHEMBL16961446 0.81 FFAR1 (0.52) EPHX2
SCHEMBL8430299 0.80 P2RX7 (0.41) EPHX2P2RX7KCNH2TMEM97SIGMAR1
SCHEMBL18174237 0.80 EPHX2 (0.49) EPHX2PDE2AP2RX7HCRTR1HCRTR2
SCHEMBL1568961 0.79 EPHX2 (0.44) EPHX2PDE2AP2RX7HCRTR1HCRTR2
SCHEMBL25182236 0.79 EPHX2 (0.50) EPHX2PDE2AP2RX7HCRTR1HCRTR2
SCHEMBL1241032 0.79 KDM4E (0.50) KDM4EALDH1A1

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-0563981-B1 Cis-1,4-substituted 2-butene derivative CHISSO CORP (JP) 1997-01-22 EP disclosed
US-5401434-A Cis-1,4-substituted 2-butene derivative CHISSO CORPORATION (JP) 1995-03-28 US disclosed
EP-0563981-A2 Cis-1,4-substituted 2-butene derivative Chisso Corporation (JP) 1993-10-06 EP disclosed