SCHEMBL9625358

SCHEMBL9625358

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.51
ALDH1A1 P00352 3/20 0.45
RARA P10276 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
RARG P13631 1/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42

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
SCHEMBL9625453 0.95 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625982 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625824 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9626034 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625635 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9624984 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625974 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625791 0.93 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625064 0.89 MCL1 (0.41) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625570 0.86 RARB (0.51) RARBALDH1A1RARAMEN1MAPT

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-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