SCHEMBL9764072

SCHEMBL9764072

CCCCCc1ccc(-c2c(-c3ccccc3)cc(F)c(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.50
HSD11B1 P28845 4/20 0.48
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
HTR2A P28223 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9763731 0.99 RARB (0.52) RARBHSD11B1RARARARGHTR2A
SCHEMBL9763649 0.99 RARB (0.52) RARBHSD11B1RARARARGHTR2A
SCHEMBL9763632 0.99 RARB (0.52) RARBHSD11B1RARARARGHTR2A
SCHEMBL9764331 0.99 RARB (0.52) RARBHSD11B1RARARARGHTR2A
SCHEMBL9764026 0.99 RARB (0.52) RARBHSD11B1RARARARGHTR2A
SCHEMBL9505504 0.96 HSD11B1 (0.47) RARBHSD11B1RARARARGPSMB5
SCHEMBL9763543 0.90 RARB (0.39) RARBHSD11B1RARARARGPSMB5
SCHEMBL8095372 0.87 RARB (0.48) RARBHSD11B1RARARARGHTR2A
SCHEMBL9764364 0.86 TP53 (0.41) ALDH1A1MAPT
SCHEMBL9225302 0.85 RARB (0.51) RARBHSD11B1RARARARGHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed