SCHEMBL12983144

SCHEMBL12983144

COP(=O)(O)Oc1ccc(CC(NC=O)C(=O)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ GRB2 P62993 2/20 0.34
▸ SRC P12931 5/20 0.33
▸ ZAP70 P43403 5/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ ERAP2 Q6P179 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
SCHEMBL10141009 1.00 MMP1 (0.35) MMP1SLC6A4MEN1KMT2ATAAR1
SCHEMBL10147692 0.88 SRC (0.36) MMP1SLC6A4LDHAGRB2SRC
SCHEMBL14853057 0.86 CYP2C19 (0.36) MMP1SLC6A4LDHAGRB2SRC
SCHEMBL12980245 0.84 ACACB (0.41) MMP1GRB2SRCZAP70
SCHEMBL8906922 0.84 ACACB (0.41) MMP1GRB2SRCZAP70
SCHEMBL10147214 0.79 SLC6A4 (0.43) SLC6A4LDHACYP2C19SMN1; SMN2ANPEP
SCHEMBL13255953 0.74 F2 (0.43) MMP1LDHAGRB2SRCZAP70
SCHEMBL12980056 0.74 F2 (0.43) MMP1LDHAGRB2SRCZAP70
SCHEMBL754142 0.74 CA2 (0.46) KMT2ALDHA
SCHEMBL10184219 0.74 ACACB (0.56) —

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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