SCHEMBL10347897

SCHEMBL10347897

CCCCCCCc1ccc(C2CCC(CCc3ccc(N=C=S)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.54
▸ SPHK2 Q9NRA0 7/20 0.48
▸ P2RY6 Q15077 1/20 0.43
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL10347637 1.00 SPHK1 (0.54) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10347898 1.00 SPHK1 (0.54) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10347636 1.00 SPHK1 (0.54) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10347896 1.00 SPHK1 (0.54) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10348252 1.00 SPHK1 (0.54) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10347899 1.00 SPHK1 (0.54) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10347641 0.99 SPHK1 (0.52) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL10347640 0.99 SPHK1 (0.52) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL1275409 0.95 SPHK1 (0.48) SPHK1SPHK2P2RY6MEN1MAPK1
SCHEMBL20893309 0.95 SPHK1 (0.48) SPHK1SPHK2P2RY6MEN1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227004-B1 LIQUID CRYSTALLINE ETHANE DERIVATIVES, THEIR PREPARATION AND THE LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1990-04-11 — — EP disclosed
US-4849130-A ISOTHIOCYANATES WOJSKOWA AKADEMIA TECHNICZNA (PL) 1989-07-18 — — US disclosed
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