SCHEMBL7916006

SCHEMBL7916006

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.55
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR2 Q92731 8/20 0.44
ESR1 P03372 6/20 0.39
CYP3A4 P08684 2/20 0.39
DGAT1 O75907 3/20 0.37
SOAT1 P35610 1/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL7916010 1.00 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2383177 0.91 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4796050 0.91 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902553 0.90 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902548 0.90 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902597 0.90 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902594 0.90 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7912470 0.89 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7912473 0.89 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7916238 0.87 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1

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