SCHEMBL8835561

SCHEMBL8835561

C=C/C=C/CCC1CCC(c2ccc(-c3ccc(CCCCC)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
SPHK2 Q9NRA0 7/20 0.45
HRH3 Q9Y5N1 1/20 0.39
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL8835448 0.96 SPHK1 (0.53) SPHK1SPHK2CYP2C9S1PR2S1PR4
SCHEMBL8835433 0.93 SPHK1 (0.50) SPHK1SPHK2CYP2C9S1PR2S1PR4
SCHEMBL8835370 0.92 CYP2C9 (0.40) SPHK1SPHK2CYP2C9
SCHEMBL8835582 0.88 SPHK1 (0.52) SPHK1SPHK2HRH3NPC1RAB9A
SCHEMBL8835266 0.88 CYP2C9 (0.43) SPHK1SPHK2CYP2C9
SCHEMBL8835121 0.87 CYP2C9 (0.39) SPHK1CYP2C9NPC1RAB9AS1PR1
SCHEMBL9478281 0.86 SPHK1 (0.52) SPHK1SPHK2HRH3
SCHEMBL9478252 0.86 SPHK1 (0.52) SPHK1SPHK2HRH3
SCHEMBL9478261 0.86 SPHK1 (0.52) SPHK1SPHK2HRH3
SCHEMBL9478269 0.86 SPHK1 (0.52) SPHK1SPHK2HRH3

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