SCHEMBL15945922

SCHEMBL15945922

CCCC1CCC(C2CCC(c3ccc(C(=O)O)c(F)c3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR4 O00206 2/20 0.35
OPRL1 P41146 11/20 0.35
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL15945924 0.96 CYP2C9 (0.45) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL15945923 0.91 NOTUM (0.39) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7663374 0.90 CYP2C9 (0.42) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7663388 0.90 CYP2C9 (0.42) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7663380 0.90 CYP2C9 (0.42) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL12994006 0.86 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7737188 0.84 CYP2C9 (0.36) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7737191 0.84 CYP2C9 (0.36) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL5835910 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL5837468 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1

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-20140226116-A1 LIQUID CRYSTAL DISPLAY AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2014-08-14 US disclosed
US-20140226116-A1 LIQUID CRYSTAL DISPLAY AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2014-08-14 US disclosed