SCHEMBL9625356

SCHEMBL9625356

CCCCc1ccc(-c2ccc(C=C(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.53
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RARA P10276 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD17B10 Q99714 3/20 0.44
HPGD P15428 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL9625465 0.97 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625305 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9624393 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625979 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625201 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9626444 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9626052 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9626245 0.95 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625372 0.91 RARB (0.42) RARBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9293984 0.84 RARB (0.51) RARBGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 EP disclosed