SCHEMBL8835308

SCHEMBL8835308

C/C=C/C=C/C1CCC(C2CCC(c3ccc(CCC)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.38
CYP2C9 P11712 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL9228247 1.00 SPHK1 (0.43) SPHK1SPHK2CYP2C9HDAC2
SCHEMBL8835311 1.00 SPHK1 (0.43) SPHK1SPHK2CYP2C9HDAC2
SCHEMBL8835314 0.97 SPHK1 (0.44) SPHK1SPHK2CYP2C9HDAC2
SCHEMBL8835313 0.97 SPHK1 (0.44) SPHK1SPHK2CYP2C9HDAC2
SCHEMBL8835353 0.91 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL8835356 0.91 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL8835278 0.89 SPHK1 (0.35) SPHK1SPHK2CYP2C9HDAC2
SCHEMBL8835277 0.89 SPHK1 (0.35) SPHK1SPHK2CYP2C9HDAC2
SCHEMBL8835245 0.88 SPHK1 (0.42) SPHK1SPHK2CYP2C9
SCHEMBL8835444 0.88 SPHK1 (0.58) SPHK1SPHK2

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-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