SCHEMBL8835504

SCHEMBL8835504

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
CYP2C9 P11712 1/20 0.36
SPHK2 Q9NRA0 7/20 0.36
P2RY14 Q15391 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL8835582 0.91 SPHK1 (0.52) SPHK1SPHK2
SCHEMBL8835569 0.90 CYP2C9 (0.35) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8835370 0.88 CYP2C9 (0.40) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL8835097 0.87 SPHK1 (0.56) SPHK1SPHK2MEN1KMT2A
SCHEMBL8834906 0.85 CYP2C9 (0.38) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL9477417 0.84 SPHK1 (0.42) SPHK1CYP2C9SPHK2P2RY14ALDH1A1
SCHEMBL9477410 0.84 SPHK1 (0.42) SPHK1CYP2C9SPHK2P2RY14ALDH1A1
SCHEMBL9477428 0.84 SPHK1 (0.42) SPHK1CYP2C9SPHK2P2RY14ALDH1A1
SCHEMBL9477393 0.84 SPHK1 (0.42) SPHK1CYP2C9SPHK2P2RY14ALDH1A1
SCHEMBL8454721 0.83 SPHK1 (0.41) SPHK1CYP2C9SPHK2P2RY14ALDH1A1

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
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