SCHEMBL12980245

SCHEMBL12980245

COC(=O)NC(Cc1ccc(OP(=O)(O)OC)cc1)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.41
▸ F2 P00734 3/20 0.40
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ PLAT P00750 2/20 0.40
▸ F10 P00742 1/20 0.39
▸ MMP1 P03956 8/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ GRB2 P62993 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ ZAP70 P43403 2/20 0.36
▸ CA2 P00918 1/20 0.35

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
SCHEMBL8906922 1.00 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL10122830 0.89 CYP2C19 (0.47) ACACBF2PLGPLAUPLAT
SCHEMBL888740 0.89 CYP2C19 (0.47) ACACBF2PLGPLAUPLAT
SCHEMBL754142 0.88 CA2 (0.46) F2PLGPLAUPLATCA2
SCHEMBL13255953 0.88 F2 (0.43) ACACBF2PLGPLAUPLAT
SCHEMBL12980056 0.88 F2 (0.43) ACACBF2PLGPLAUPLAT
SCHEMBL10228106 0.85 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL12281789 0.85 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL10184219 0.85 ACACB (0.56) ACACBF2PLGPLAUPLAT
SCHEMBL10141009 0.84 MMP1 (0.35) MMP1GRB2SRCZAP70

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-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 — — WO disclosed
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