SCHEMBL9505504

SCHEMBL9505504

CCCCc1ccc(-c2c(-c3ccccc3)cc(F)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
RARB P10826 5/20 0.45
PSMB5 P28074 1/20 0.44
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
MPL P40238 4/20 0.41
BRS3 P32247 2/20 0.39
DHODH Q02127 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL9764072 0.96 RARB (0.50) HSD11B1RARBPSMB5RARARARG
SCHEMBL9764331 0.95 RARB (0.52) HSD11B1RARBRARARARGCTSV
SCHEMBL9764026 0.95 RARB (0.52) HSD11B1RARBRARARARGCTSV
SCHEMBL9763731 0.95 RARB (0.52) HSD11B1RARBRARARARGCTSV
SCHEMBL9763632 0.95 RARB (0.52) HSD11B1RARBRARARARGCTSV
SCHEMBL9763649 0.95 RARB (0.52) HSD11B1RARBRARARARGCTSV
SCHEMBL9763543 0.92 RARB (0.39) HSD11B1RARBPSMB5RARARARG
SCHEMBL9764364 0.87 TP53 (0.41)
SCHEMBL9221770 0.84 HSD11B1 (0.48) HSD11B1RARBPSMB5RARARARG
SCHEMBL8095372 0.83 RARB (0.48) HSD11B1RARBPSMB5RARARARG

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-0387032-B1 TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME CHISSO CORP (JP) 1993-06-16 EP disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed