SCHEMBL7912977

SCHEMBL7912977

CC1CCC(c2ccc(-c3ccc(C4CCC(CCCCF)CC4)cc3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.43
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
APP P05067 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR2 Q92731 4/20 0.36
RORC P51449 1/20 0.33
DGAT1 O75907 2/20 0.32
SOAT1 P35610 1/20 0.32
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HRH1 P35367 1/20 0.30

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
SCHEMBL7912974 1.00 FASN (0.43) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL20111096 0.91 FASN (0.45) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7902495 0.91 CYP3A4 (0.41) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7902493 0.91 CYP3A4 (0.41) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7912781 0.89 CYP3A4 (0.40) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7910900 0.89 CYP2C9 (0.41) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7910986 0.89 CYP3A4 (0.40) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7912787 0.89 CYP3A4 (0.40) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7910897 0.89 CYP2C9 (0.41) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL7910793 0.89 CYP3A4 (0.40) FASNCYP3A4CYP2C9APPCYP2D6

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