SCHEMBL9319339

SCHEMBL9319339

CCCCC[C@H]1CC[C@H](CCc2ccc(OC(=O)[C@H]3CC[C@H](CC[C@H]4CC[C@H](CCCCC)CC4)CC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.53
THRB P10828 4/20 0.46
THRA P10827 2/20 0.46
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ELANE P08246 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL17809772 0.95 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL9398375 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL4651967 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL15427378 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL4651768 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL9398371 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL9486380 0.93 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL9487871 0.93 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL9488379 0.93 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL9486941 0.93 F2 (0.49) F2THRBTHRAKMT2AHTT

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-5288427-A For TFT-addressed LC displays having short switch-on time MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-02-22 US disclosed