SCHEMBL7902472

SCHEMBL7902472

Cc1ccc(-c2ccc([C@H]3CC[C@H]([C@H]4CC[C@H](CCCF)CC4)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.39
CYP2C9 P11712 3/20 0.37
DGAT1 O75907 6/20 0.36
SOAT1 P35610 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A3 Q16572 1/20 0.35
ESR1 P03372 4/20 0.34
CYP3A4 P08684 2/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.32
CHRM2 P08172 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL7902461 1.00 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902466 1.00 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902529 0.96 ESR2 (0.41) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902532 0.96 ESR2 (0.41) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902530 0.96 ESR2 (0.41) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902528 0.96 ESR2 (0.41) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7912847 0.89 SPHK1 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7912843 0.89 SPHK1 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7911062 0.89 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7911074 0.89 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1

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