SCHEMBL9625115

SCHEMBL9625115

CCCCC(CCOc1ccc(C(=O)O)cc1)C(F)(F)F.CCCCCCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RARA P10276 1/20 0.57
MAPT P10636 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 4/20 0.51
PLA2G4A P47712 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
SCHEMBL9624275 0.92 RARB (0.66) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9419088 0.86 TP53 (0.66) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9419104 0.86 MAPK1 (0.61) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL10400837 0.83 TP53 (0.62) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9624358 0.83 MEN1 (0.46) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL9352107 0.81 SMN1; SMN2 (0.52) RARBMAPTKMT2ATP53TSHR
SCHEMBL9352005 0.81 SMN1; SMN2 (0.52) RARBMAPTKMT2ATP53TSHR
SCHEMBL9355991 0.81 SMN1; SMN2 (0.52) RARBMAPTKMT2ATP53TSHR
SCHEMBL9356003 0.81 SMN1; SMN2 (0.52) RARBMAPTKMT2ATP53TSHR
SCHEMBL9355952 0.81 SMN1; SMN2 (0.52) RARBMAPTKMT2ATP53TSHR

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
EP-0301511-B1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 1992-01-22 EP disclosed
US-5073306-A Trifluoromethylalkyl substituted CANON KABUSHIKI KAISHA (JP) 1991-12-17 US disclosed
US-4918213-A HAVING A TRIFLUOROMETHYL GROUP ATTACHED TO ASYMMETRIC CARBON ATOM; STABLE; OPTICAL DEVICES CANON KABUSHIKI KAISHA (JP) 1990-04-17 US disclosed
EP-0301511-A1 Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-02-01 EP disclosed