SCHEMBL9842436

SCHEMBL9842436

CCO[C@H]1CC[C@H](OC(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.49
NPC1 O15118 2/20 0.42
RARB P10826 3/20 0.42
RARA P10276 2/20 0.42
RARG P13631 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.38
HDAC2 Q92769 2/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SERPINE1 P05121 1/20 0.36
HTR3A P46098 1/20 0.36
HDAC1 Q13547 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9842673 0.91 NAAA (0.47) NAAANPC1RARBRARARARG
SCHEMBL9842572 0.89 RARB (0.51) NAAANPC1RARBRARARARG
SCHEMBL9842642 0.88 RARB (0.47) NAAANPC1RARBRARARARG
SCHEMBL9842492 0.87 RARB (0.47) NAAANPC1RARBRARARARG
SCHEMBL9842439 0.86 NAAA (0.47) NAAANPC1RARBRARARARG
SCHEMBL9842742 0.84 RARB (0.46) NAAANPC1RARBRARARARG
SCHEMBL9842414 0.83 RARB (0.46) NAAANPC1RARBRARARARG
SCHEMBL9842556 0.83 RARB (0.47) NAAANPC1RARBRARARARG
SCHEMBL11100739 0.82 SCN1A (0.51) NPC1RAB9ASERPINE1
SCHEMBL8971164 0.76 NAAA (0.44) NAAANPC1RARBRARARARG

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