SCHEMBL17586077

SCHEMBL17586077

CCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.50
▸ CTRC Q99895 1/20 0.44
▸ RARA P10276 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ CHKA P35790 1/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ MPL P40238 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ PTGES2 Q9H7Z7 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37

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
SCHEMBL17586078 0.96 RARB (0.55) RARBCTRCRARARARGGRM2
SCHEMBL8990757 0.94 RARB (0.53) RARBCTRCRARARARGGRM2
SCHEMBL8857743 0.93 RARB (0.58) RARBCTRCRARARARGGRM2
SCHEMBL8857747 0.91 RARB (0.60) RARBCTRCRARARARGKCNH2
SCHEMBL8857746 0.91 RARB (0.60) RARBCTRCRARARARGKCNH2
SCHEMBL17586079 0.91 RARB (0.43) RARBGRM2CHKAMCHR1PTGES2
SCHEMBL8375670 0.90 RARB (0.59) RARBCTRCRARARARGKCNH2
SCHEMBL14526078 0.89 RARB (0.50) RARBRARARARGGCGRMPL
SCHEMBL17108400 0.89 RARB (0.50) RARBRARARARGGCGRMPL
SCHEMBL3153476 0.89 RARB (0.46) RARBCTRCRARARARGGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075949-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME DIC CORPORATION (JP) 2016-03-17 — — US disclosed
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