SCHEMBL9842548

SCHEMBL9842548

CCCCCCCCc1ccc(-c2c(-c3ccc(F)cc3)ccc(C(=O)O)c2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.60
RARA P10276 2/20 0.60
RARG P13631 1/20 0.60
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARA Q07869 2/20 0.49
MPL P40238 3/20 0.48
PPARG P37231 1/20 0.46
KAT8 Q9H7Z6 2/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL9842700 1.00 RARB (0.60) RARBRARARARGMEN1ALDH1A1
SCHEMBL9842454 1.00 RARB (0.60) RARBRARARARGMEN1ALDH1A1
SCHEMBL9842605 0.99 RARB (0.58) RARBRARARARGMEN1ALDH1A1
SCHEMBL9842624 0.95 RARB (0.53) RARBRARARARGMPL
SCHEMBL9843125 0.90 MCL1 (0.47) RARBRARARARGALDH1A1MPL
SCHEMBL9419291 0.86 RARB (0.67) RARBRARARARGMEN1ALDH1A1
SCHEMBL9419287 0.85 RARB (0.65) RARBRARARARGMEN1ALDH1A1
SCHEMBL9842676 0.85 RAB9A (0.45) RARBRARARARGMEN1ALDH1A1
SCHEMBL9842584 0.84 PTPN11 (0.57) RARBRARA
SCHEMBL9842467 0.84 PTPN11 (0.57) RARBRARA

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-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed