SCHEMBL11418409

SCHEMBL11418409

CCCCCCCCC1CCC(C2CCC(C(=O)Oc3ccc(CCCC)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.50
▸ THRB P10828 4/20 0.49
▸ THRA P10827 3/20 0.49
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ S1PR1 P21453 3/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ S1PR5 Q9H228 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL11418450 1.00 F2 (0.50) F2THRBTHRAHTTKMT2A
SCHEMBL11403766 1.00 F2 (0.50) F2THRBTHRAHTTKMT2A
SCHEMBL11405959 0.99 F2 (0.51) F2THRBTHRAHTTKMT2A
SCHEMBL11405165 0.98 THRB (0.52) F2THRBTHRAHTTKMT2A
SCHEMBL11411889 0.98 THRB (0.52) F2THRBTHRAHTTKMT2A
SCHEMBL11416472 0.98 THRB (0.52) F2THRBTHRAHTTKMT2A
SCHEMBL11416421 0.98 THRB (0.52) F2THRBTHRAHTTKMT2A
SCHEMBL11418457 0.98 THRB (0.52) F2THRBTHRAHTTKMT2A
SCHEMBL11412043 0.96 F2 (0.51) F2THRBTHRAHTTKMT2A
SCHEMBL11412220 0.95 THRB (0.52) F2THRBTHRAHTTKMT2A

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — US disclosed
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