SCHEMBL9500698

SCHEMBL9500698

CCCCCc1ccc([C@H]2CC[C@H](C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.62
SPHK2 Q9NRA0 7/20 0.54
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL9500704 1.00 SPHK1 (0.62) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9500700 1.00 SPHK1 (0.62) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10764780 0.99 SPHK1 (0.65) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10764329 0.95 SPHK1 (0.56) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10764776 0.94 SPHK1 (0.62) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10764499 0.94 SPHK1 (0.62) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10769141 0.93 SPHK1 (0.65) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10766637 0.93 SPHK1 (0.65) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10764844 0.93 SPHK1 (0.65) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL10767228 0.93 SPHK1 (0.65) 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
US-5188758-A Electrooptical display element using a supertwist liquid crystal having specified elastic constants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-02-23 US disclosed
EP-0393442-A2 Liquid crystal supertwist display unit MERCK PATENT GmbH (DE) 1990-10-24 EP disclosed