SCHEMBL9842545

SCHEMBL9842545

CCCCCCCCc1ccc(OC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.68
RARA P10276 3/20 0.68
RARG P13631 1/20 0.68
THRB P10828 2/20 0.51
THRA P10827 1/20 0.51
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
FAAH O00519 2/20 0.42
DHODH Q02127 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL9842444 1.00 RARB (0.68) RARBRARARARGTHRBTHRA
SCHEMBL9842696 1.00 RARB (0.68) RARBRARARARGTHRBTHRA
SCHEMBL9842601 0.99 RARB (0.66) RARBRARARARGTHRBTHRA
SCHEMBL9842616 0.95 RARB (0.60) RARBRARARARGTHRBTHRA
SCHEMBL9843123 0.91 MAPT (0.54) RARBRARARARGTHRBMAPT
SCHEMBL9842460 0.87 RARB (0.61) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL9842575 0.87 RARB (0.61) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL9842671 0.87 RARB (0.49) RARBRARARARGTHRBMAPT
SCHEMBL9842396 0.86 RARB (0.62) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11102964 0.84 MAPT (0.58) RARBRARARARGTHRBTHRA

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