SCHEMBL7556138

SCHEMBL7556138

CCCCCc1ccc([C@H]2CC[C@H](/C=C/[C@H]3CC[C@H](/C=C/[C@H]4CC[C@H](CCC)CC4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.58
SPHK2 Q9NRA0 7/20 0.51
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
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

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
SCHEMBL7556142 1.00 SPHK1 (0.58) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7556146 1.00 SPHK1 (0.58) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9193397 0.89 SPHK1 (0.64) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9191416 0.89 SPHK1 (0.64) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9191353 0.89 SPHK1 (0.64) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9193393 0.89 SPHK1 (0.64) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10567048 0.89 SPHK1 (0.62) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10567052 0.89 SPHK1 (0.62) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475711 0.88 SPHK1 (0.54) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475699 0.88 SPHK1 (0.54) SPHK1SPHK2CYP2C9ALDH1A1LMNA

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-0885861-B1 LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP SADAO NOGI (JP) 2002-07-31 EP disclosed
EP-0885861-A1 LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (SADAO NOGI) (JP) 1998-12-23 EP disclosed