SCHEMBL8835320

SCHEMBL8835320

C=C/C=C\CC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.33
PDE2A O00408 10/20 0.32
CHRM2 P08172 1/20 0.31
CTSK P43235 1/20 0.30
NAAA Q02083 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL8835381 0.91 CTSK (0.36) EPHX2PDE2ACHRM2CTSKNAAA
SCHEMBL8835051 0.90 EPHX2 (0.35) EPHX2PDE2ACHRM2
SCHEMBL8835072 0.87 EPHX2 (0.33) EPHX2PDE2ACHRM2
SCHEMBL8835068 0.84
SCHEMBL9013573 0.84 EPHX2 (0.35) EPHX2PDE2ACHRM2CTSKNAAA
SCHEMBL9013569 0.84 EPHX2 (0.35) EPHX2PDE2ACHRM2CTSKNAAA
SCHEMBL8835460 0.82 CCR2 (0.34)
SCHEMBL8834959 0.82 KDM1A (0.42) CHRM2
SCHEMBL8835178 0.82 KDM1A (0.39) EPHX2
SCHEMBL8835143 0.81 CTSK (0.36) EPHX2CHRM2CTSKNAAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed
EP-0563982-A2 Polycyclic diene derivatives Chisso Corporation (JP) 1993-10-06 EP disclosed