SCHEMBL28548977

SCHEMBL28548977

CCCc1ccc(-c2ccc(C(=O)O)cc2F)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.80
MPL P40238 4/20 0.54
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
RARA P10276 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
ADH5 P11766 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCL1 Q07820 1/20 0.48
RARG P13631 1/20 0.47

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
SCHEMBL17108401 0.92 RARB (0.68) RARBMPLRARAMEN1ALDH1A1
SCHEMBL15797758 0.91 RARB (0.67) RARBMPLADRB1ADRB3RARA
SCHEMBL28196075 0.90 RARB (0.97) RARBMPLRARAMEN1ALDH1A1
SCHEMBL13779190 0.89 RARB (1.00) RARBMPLRARAMEN1ALDH1A1
SCHEMBL4190781 0.89 RARB (1.00) RARBMPLRARAMEN1ALDH1A1
SCHEMBL8015665 0.85 RARB (0.60) RARBMPLRARAMEN1ALDH1A1
SCHEMBL10923045 0.82 RARB (0.56) RARBMPLKMT2ANPC1RAB9A
SCHEMBL6252810 0.82 RARB (0.61) RARBADRB1ADRB3MEN1ALDH1A1
SCHEMBL6269452 0.82 RARB (0.83) RARBMPLRARAMEN1ALDH1A1
SCHEMBL10924018 0.81 RARB (0.55) RARBMPLALDH1A1MAPTNPC1

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
CN-105400522-B Liquid-crystalline medium 默克专利股份有限公司 2021-05-07 CN disclosed