SCHEMBL20202923

SCHEMBL20202923

CCCCc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
MPL P40238 8/20 0.37
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
PSMB5 P28074 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
SKP2 Q13309 1/20 0.34
ALOX5 P09917 1/20 0.33
EIF4A1 P60842 1/20 0.33

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
SCHEMBL20202924 0.96 RARB (0.48) RARBMPLRARARARGTSHR
SCHEMBL20202925 0.92 RARB (0.44) RARBMPLRARARARGNPC1
SCHEMBL13116412 0.92 ALOX5 (0.40) RARBMPLNPC1TP53RAB9A
SCHEMBL20202926 0.89 RARB (0.49) RARBMPLRARARARGTSHR
SCHEMBL20202940 0.89 RARB (0.38) RARBMPLHSD17B1HSD17B2ESR1
SCHEMBL20202922 0.88 HSD17B1 (0.38) RARBNPC1RAB9ASMN1; SMN2HSD17B1
SCHEMBL15088581 0.86 HSD17B1 (0.38) RARBNPC1RAB9ASMN1; SMN2HSD17B1
SCHEMBL16210615 0.86 RARB (0.38) RARBHSD17B1HSD17B2ESR1ESR2
SCHEMBL20202930 0.85 RARB (0.42) RARBMPLRARARARGNPC1
SCHEMBL16210613 0.84 RARB (0.38) RARBMPLRARARARGNPC1

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-20180148647-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAME DIC CORPORATION (JP) 2018-05-31 US disclosed