SCHEMBL7902548

SCHEMBL7902548

CCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CF)CC4)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
MEN1 O00255 3/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ESR2 Q92731 3/20 0.41
SPHK1 Q9NYA1 3/20 0.40
CYP1A2 P05177 2/20 0.39
GAA P10253 3/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7902553 1.00 CYP2C9 (0.46) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7912473 0.95 CYP2C9 (0.44) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7912470 0.95 CYP2C9 (0.44) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7900623 0.92 CYP2C9 (0.51) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7900629 0.92 CYP2C9 (0.51) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7916010 0.90 CYP2C9 (0.55) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7916006 0.90 CYP2C9 (0.55) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7912873 0.89 CYP2C9 (0.44) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL7912868 0.89 CYP2C9 (0.44) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL11191866 0.89 CYP2C9 (0.49) CYP2C9MEN1MAPK1KMT2AMAPT

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