SCHEMBL16062997

SCHEMBL16062997

CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC)c(F)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
FPR2 P25090 2/20 0.34
ESR2 Q92731 2/20 0.34
KDM1A O60341 2/20 0.33
GRM2 Q14416 4/20 0.32
FFAR4 Q5NUL3 1/20 0.31
S1PR1 P21453 3/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 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
SCHEMBL13025505 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2604710 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL29432462 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4402617 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL26209573 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL22277434 0.89 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17614865 0.89 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15236079 0.87 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4401652 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15339894 0.86 CYP2C9 (0.41) 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-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed