SCHEMBL9013501

SCHEMBL9013501

F[Mg]c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ GPR3 P46089 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41

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
Bromide SCHEMBL9250086 0.98 MAPT (0.44) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL254957 0.84 MAPT (0.56) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL513339 0.81 MAPT (0.42) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL7761174 0.76 AURKA (0.45) MAPTEPHX2PIM1PIM2KIF11
SCHEMBL28780452 0.76 EPHX2 (0.50) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL13863723 0.74 MAPT (0.48) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL255560 0.74 GPR3 (0.52) MAPTEPHX2GPR3ALDH1A1MAOB
SCHEMBL17288539 0.73 EPHX2 (0.48) MAPTEPHX2MAOBAOC3L3MBTL1
SCHEMBL15120976 0.72 MAPT (0.47) MAPTEPHX2GPR3ALDH1A1TSHR
SCHEMBL20380903 0.72 MAPT (0.47) MAPTEPHX2GPR3ALDH1A1TSHR

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
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 — — EP disclosed
EP-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 — — EP disclosed
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