SCHEMBL9624964

SCHEMBL9624964

CCCCCc1ccc(-c2ccc(CCC=C(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.53
ALDH1A1 P00352 3/20 0.51
RARA P10276 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL9625401 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL10540994 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625340 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9626495 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625413 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625021 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625557 0.98 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625570 0.95 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9624346 0.88 MCL1 (0.41) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9625453 0.87 RARB (0.53) 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 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