SCHEMBL4826432

SCHEMBL4826432

CCCc1ccc(C(=O)O)cc1.N#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.57
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AR P10275 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.50
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
BCL2 P10415 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL4826735 0.92 RARB (0.71) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4651820 0.91 RARB (0.72) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4827176 0.90 RARB (0.72) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4828278 0.89 ALDH1A1 (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10824238 0.86 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL200372 0.83 RARB (0.79) RARBMEN1ALDH1A1RARAMAPT
Benzonitrile SCHEMBL31098167 0.83 RARB (0.65) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11297291 0.82 TAS2R14 (0.55) RARBMEN1ALDH1A1KMT2AAR
Hydrochloric Acid SCHEMBL11652762 0.82 RARB (0.77) RARBMEN1ALDH1A1RARAMAPT
Benzoic Acid SCHEMBL9405473 0.82 TSHR (0.54) ALDH1A1MAPTKMT2ATSHRNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US claimed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed