SCHEMBL11524499

SCHEMBL11524499

CCCCOc1ccc(C2CCC(c3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
HRH3 Q9Y5N1 12/20 0.52
HRH2 P25021 7/20 0.52
HRH1 P35367 7/20 0.52
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CRBN Q96SW2 1/20 0.46
MEN1 O00255 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
SCHEMBL11524495 1.00 RAB9A (0.52) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11527316 0.97 KDM4E (0.52) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11527311 0.97 KDM4E (0.52) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11522578 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11522183 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11524715 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11528757 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11523273 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11522180 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9
SCHEMBL11524710 0.96 KDM4E (0.54) RAB9AHRH3HRH2HRH1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154697-A Liquid crystalline hexahydroterphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1979-05-15 US disclosed