SCHEMBL8835582

SCHEMBL8835582

C=C/C=C\CC1CCC(c2ccc(-c3ccc(CCCCC)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RARB P10826 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8835097 0.96 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL8835504 0.91 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8835561 0.88 SPHK1 (0.50) SPHK1SPHK2HRH3NPC1RAB9A
SCHEMBL8835569 0.86 CYP2C9 (0.35) SPHK1NPC1RAB9A
SCHEMBL9509123 0.85 SPHK1 (0.54) SPHK1SPHK2HRH3RARBTSHR
SCHEMBL9509118 0.85 SPHK1 (0.54) SPHK1SPHK2HRH3RARBTSHR
SCHEMBL9509132 0.85 SPHK1 (0.54) SPHK1SPHK2HRH3RARBTSHR
SCHEMBL9509128 0.85 SPHK1 (0.54) SPHK1SPHK2HRH3RARBTSHR
SCHEMBL8835448 0.84 SPHK1 (0.53) SPHK1SPHK2
SCHEMBL9476821 0.84 SPHK1 (0.56) SPHK1SPHK2RARBTSHRHSD17B10

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