SCHEMBL8835247

SCHEMBL8835247

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
SPHK2 Q9NRA0 7/20 0.48
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL8835253 1.00 SPHK1 (0.54) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL8835501 0.96 SPHK1 (0.58) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL8835499 0.96 SPHK1 (0.58) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL8835245 0.91 SPHK1 (0.42) SPHK1SPHK2THRB
SCHEMBL8835252 0.91 SPHK1 (0.42) SPHK1SPHK2THRB
SCHEMBL8835353 0.89 SPHK1 (0.56) SPHK1SPHK2THRATHRB
SCHEMBL8835356 0.89 SPHK1 (0.56) SPHK1SPHK2THRATHRB
SCHEMBL8835719 0.87 SPHK1 (0.44) SPHK1SPHK2THRB
SCHEMBL8835726 0.87 SPHK1 (0.44) SPHK1SPHK2THRB
SCHEMBL8835444 0.86 SPHK1 (0.58) SPHK1SPHK2THRATHRB

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
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