SCHEMBL9842671

SCHEMBL9842671

CCc1ccc(OC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.49
RARA P10276 2/20 0.49
MAOB P27338 2/20 0.48
RARG P13631 1/20 0.47
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
FAAH O00519 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAOA P21397 1/20 0.42
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL9843123 0.91 MAPT (0.54) RARBRARAMAOBRARGMAPT
SCHEMBL9842616 0.89 RARB (0.60) RARBRARAMAOBRARGMAPT
SCHEMBL9842601 0.88 RARB (0.66) RARBRARAMAOBRARGMAPT
SCHEMBL9842696 0.87 RARB (0.68) RARBRARARARGMAPTFAAH
SCHEMBL9842444 0.87 RARB (0.68) RARBRARARARGMAPTFAAH
SCHEMBL9842545 0.87 RARB (0.68) RARBRARARARGMAPTFAAH
SCHEMBL9842529 0.86 RARB (0.58) RARBRARAMAOBRARGMAPT
SCHEMBL17225168 0.85 FAAH (0.45) RARBRARAMAOBMAPTFAAH
SCHEMBL12199915 0.84 MAPT (0.49) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9842396 0.84 RARB (0.62) RARBRARARARGMAPTCYP1A2

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