SCHEMBL9842439

SCHEMBL9842439

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
RARB P10826 3/20 0.42
RARA P10276 2/20 0.42
NPC1 O15118 2/20 0.40
RARG P13631 1/20 0.40
CHRM4 P08173 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PKM P14618 1/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC1 Q13547 1/20 0.36
RAB9A P51151 1/20 0.36
MGLL Q99685 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR3A P46098 1/20 0.35
CYP2C9 P11712 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL9842742 0.93 RARB (0.46) NAAARARBRARANPC1RARG
SCHEMBL9842414 0.92 RARB (0.46) NAAARARBRARANPC1RARG
SCHEMBL9842556 0.91 RARB (0.47) NAAARARBRARANPC1RARG
SCHEMBL9842436 0.86 NAAA (0.49) NAAARARBRARANPC1RARG
SCHEMBL9842673 0.86 NAAA (0.47) NAAARARBRARANPC1RARG
SCHEMBL9842572 0.84 RARB (0.51) NAAARARBRARANPC1RARG
SCHEMBL11104527 0.84 SCN1A (0.48) NPC1RAB9ACYP2C9
SCHEMBL9842642 0.83 RARB (0.47) NAAARARBRARANPC1RARG
SCHEMBL16900530 0.82 CA12 (0.37) NAAANPC1RAB9AHTR3ACYP2C9
SCHEMBL10716815 0.82 RAB9A (0.41) NAAANPC1RAB9AHTR3A

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