SCHEMBL30772096

SCHEMBL30772096

CC(C)(C)C(=O)CNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ CTSC P53634 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ SLC15A1 P46059 1/20 0.49
▸ OPRD1 P41143 5/20 0.47
▸ OPRM1 P35372 4/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ RNPEP Q9H4A4 1/20 0.47
▸ DNPEP Q9ULA0 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ ACE P12821 1/20 0.46

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
SCHEMBL12201779 0.84 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6162382 0.84 SLC7A5 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7635307 0.84 SLC7A5 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL25411191 0.83 CTSS (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7277531 0.83 CTSS (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1329817 0.83 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1329815 0.83 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6047673 0.83 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL11202440 0.82 SLC7A5 (0.51) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL11202436 0.82 SLC7A5 (0.51) ALPIPKMPTGS1XIAPSLC7A5

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
CN-117510829-A Nitrogen-branched polyethylene glycol derivative containing amino acid residue 厦门赛诺邦格生物科技股份有限公司 2024-02-06 — — CN disclosed
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