SCHEMBL12436788

SCHEMBL12436788

CCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.43
▸ CHKA P35790 1/20 0.43
▸ PTGES2 Q9H7Z7 3/20 0.39
▸ PTGES O14684 2/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ CNR1 P21554 5/20 0.38
▸ MAOB P27338 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ APP P05067 1/20 0.35

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
SCHEMBL13761383 0.97 GRM2 (0.45) GRM2CHKAPTGES2PTGESTBXAS1
SCHEMBL8508687 0.92 RARB (0.44) GRM2CHKAPTGES2PTGESTBXAS1
SCHEMBL26036249 0.90 CHKA (0.43) GRM2CHKARARBHTR2AAPP
SCHEMBL16257975 0.88 PDE3B (0.42) CHKARARB
SCHEMBL3158940 0.88 CYP1A2 (0.42) GRM2CHKAPTGES2PTGESTBXAS1
SCHEMBL17586079 0.87 RARB (0.43) GRM2CHKAPTGES2PTGESTBXAS1
SCHEMBL9270795 0.86 APP (0.41) GRM2CHKAMCHR1PSEN1PSEN2
SCHEMBL10981111 0.86 CHKA (0.45) GRM2CHKARARBHTR2A
SCHEMBL3259316 0.85 ESR1 (0.40) GRM2CHKAPTGES2PTGESTBXAS1
SCHEMBL20886693 0.85 LMNA (0.43) CHKARARBPSEN1PSEN2APH1B

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-20160075949-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME DIC CORPORATION (JP) 2016-03-17 — — US disclosed
EP-2085454-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2011-08-10 — — EP disclosed
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