SCHEMBL7910900

SCHEMBL7910900

CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCCF)CC4)cc3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 5/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 2/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
FASN P49327 1/20 0.36
ESR2 Q92731 3/20 0.35
GAA P10253 1/20 0.33
RARB P10826 1/20 0.33
RORC P51449 1/20 0.32
SPHK1 Q9NYA1 3/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
CYP2C8 P10632 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
SCHEMBL7910897 1.00 CYP2C9 (0.41) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7910989 0.95 CYP3A4 (0.40) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7912781 0.95 CYP3A4 (0.40) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7912787 0.95 CYP3A4 (0.40) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7910986 0.95 CYP3A4 (0.40) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7902495 0.94 CYP3A4 (0.41) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7902493 0.94 CYP3A4 (0.41) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7910796 0.93 CYP3A4 (0.40) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7910793 0.93 CYP3A4 (0.40) CYP2C9CYP3A4MAPTALDH1A1LMNA
SCHEMBL7915936 0.92 CYP3A4 (0.41) CYP2C9CYP3A4MAPTALDH1A1LMNA

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