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SCHEMBL20107528

SCHEMBL20107528

CCCCC(CC)COP(OCC(CC)CCCC)SCC(C)OP(OC(C)CSP(OCC(CC)CCCC)OCC(CC)CCCC)SCC(C)OP(OC(C)CSP(OC(C)CSP(OCC(CC)CCCC)OCC(CC)CCCC)OC(C)CSP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)SCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20107506 0.90 CYP3A4 (0.38) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL20107365 0.87 CYP3A4 (0.37) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL22240391 0.87 CYP3A4 (0.32) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL23809626 0.81 CYP3A4 (0.32) CYP3A4TSHRATMTDP1
SCHEMBL21732700 0.79 CYP3A4 (0.44) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL22240399 0.78 CYP3A4 (0.35) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL20107296 0.78 CYP3A4 (0.38) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL20107350 0.78 CYP3A4 (0.38) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL20107527 0.77 TSHR (0.43) CYP3A4TSHRATMTDP1
SCHEMBL21732694 0.77 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRATMTDP1

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
WO-2018081822-A1 PHOSPHOROUS CONTAINING COMPOUNDS AND USES THEREOF AFTON CHEMICAL CORPORATION (US) 2018-05-03 — — WO disclosed