SCHEMBL18540262

SCHEMBL18540262

C=CCCc1ccc(CCCCc2ccc(-c3ccc(CC/C=C/C)cc3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.43
FDFT1 P37268 1/20 0.34
CHKA P35790 1/20 0.33
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
ALOX5 P09917 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18540270 0.95 RARB (0.36) RARBFDFT1CHKAALOX5HCAR2
SCHEMBL18540268 0.91 RARB (0.46) RARBFDFT1CHKARARARARG
SCHEMBL18540245 0.89 ALOX5 (0.36) RARBCHKAALOX5HCAR2
SCHEMBL18540177 0.88 RARB (0.40) RARBCHKAALOX5HCAR2
SCHEMBL18540115 0.85 RARB (0.34) RARBFDFT1ALOX5
SCHEMBL18540201 0.85 RARB (0.32) RARB
SCHEMBL13253194 0.85 RARB (0.39) RARBFDFT1CHKAHCAR2
SCHEMBL18540247 0.85 RARB (0.39) RARBFDFT1CHKAHCAR2
SCHEMBL18540197 0.84 RARB (0.41) RARBFDFT1CHKARARARARG
SCHEMBL16803056 0.84 ALOX5 (0.33) CHKAALOX5

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-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed