SCHEMBL8835196

SCHEMBL8835196

C/C=C/C=C/C1CCC(c2ccc(CC)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.37
HDAC2 Q92769 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP2C9 P11712 1/20 0.33
SPHK2 Q9NRA0 7/20 0.33
ESR2 Q92731 1/20 0.32

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
SCHEMBL8835198 1.00 SPHK1 (0.37) SPHK1HDAC2MAOAMAOBCYP2C9
SCHEMBL8835278 0.97 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBCYP2C9
SCHEMBL8835277 0.97 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBCYP2C9
SCHEMBL8835313 0.88 SPHK1 (0.44) SPHK1HDAC2CYP2C9SPHK2
SCHEMBL8835314 0.88 SPHK1 (0.44) SPHK1HDAC2CYP2C9SPHK2
SCHEMBL8835352 0.86 SPHK1 (0.36) SPHK1HDAC2MAOAMAOBCYP2C9
SCHEMBL8835355 0.86 SPHK1 (0.36) SPHK1HDAC2MAOAMAOBCYP2C9
SCHEMBL8835311 0.85 SPHK1 (0.43) SPHK1HDAC2CYP2C9SPHK2
SCHEMBL9228247 0.85 SPHK1 (0.43) SPHK1HDAC2CYP2C9SPHK2
SCHEMBL8835308 0.85 SPHK1 (0.43) SPHK1HDAC2CYP2C9SPHK2

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 4 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