SCHEMBL7909656

SCHEMBL7909656

CCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCCF)CC4)cc3)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRL1 P41146 14/20 0.39
DGAT1 O75907 1/20 0.35
ESR2 Q92731 1/20 0.33

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
SCHEMBL7909662 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7912780 0.93 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7912788 0.93 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17897886 0.93 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16258047 0.93 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4650777 0.93 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902486 0.92 OPRL1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7916076 0.92 OPRL1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902490 0.92 OPRL1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7916080 0.92 OPRL1 (0.38) 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