SCHEMBL8835381

SCHEMBL8835381

C=C/C=C\CC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
S1PR1 P21453 1/20 0.32
EPHX2 P34913 3/20 0.32
GRM2 Q14416 1/20 0.30
PDE2A O00408 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL8835320 0.91 EPHX2 (0.33) CTSKNAAAEPHX2PDE2ACHRM2
SCHEMBL8835143 0.91 CTSK (0.36) CTSKNAAAS1PR1EPHX2GRM2
SCHEMBL8835491 0.88 FFAR4 (0.31)
SCHEMBL8447952 0.87 CTSK (0.37) CTSKNAAAS1PR1EPHX2GRM2
SCHEMBL8835301 0.84 DGAT1 (0.33)
SCHEMBL8835312 0.84 L3MBTL1 (0.40) EPHX2GRM2CHRM2CHRM1
SCHEMBL8835613 0.84 KIF11 (0.41)
SCHEMBL8835051 0.81 EPHX2 (0.35) EPHX2PDE2ACHRM2CHRM1
SCHEMBL23666165 0.81 CTSK (0.38) CTSKNAAAS1PR1EPHX2GRM2
SCHEMBL9062319 0.81 CTSK (0.40) CTSKNAAAS1PR1EPHX2GRM2

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