SCHEMBL7916100

SCHEMBL7916100

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC3CCC(c4ccc(CCCCCF)cc4)CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.36

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
SCHEMBL7916113 1.00 SPHK1 (0.52) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7916097 1.00 SPHK1 (0.52) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7916107 1.00 SPHK1 (0.52) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7910737 0.97 SPHK1 (0.51) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9386336 0.97 SPHK1 (0.51) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7910743 0.97 SPHK1 (0.51) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7910739 0.97 SPHK1 (0.51) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9386340 0.97 SPHK1 (0.51) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9386333 0.97 SPHK1 (0.51) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7910735 0.97 SPHK1 (0.51) 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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed