SCHEMBL9488379

SCHEMBL9488379

CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(CCC4CCC(CCC)CC4)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
THRB P10828 3/20 0.45
THRA P10827 2/20 0.45
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ELANE P08246 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 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
SCHEMBL9486380 1.00 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL9486941 1.00 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL9487871 1.00 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL17809772 0.98 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL9487767 0.97 F2 (0.50) F2THRBTHRAKMT2AHTT
SCHEMBL9485858 0.97 F2 (0.50) F2THRBTHRAKMT2AHTT
SCHEMBL9486971 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL9301959 0.93 THRB (0.53) F2THRBTHRAKMT2AHTT
SCHEMBL2827602 0.93 THRB (0.53) F2THRBTHRAKMT2AHTT
SCHEMBL9301954 0.93 THRB (0.53) 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-5190692-A FOUR RING ESTERS AND ETHERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed