SCHEMBL29815598

SCHEMBL29815598

CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ GSTK1 Q9Y2Q3 1/20 0.49
▸ ACE P12821 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ FNTA P49354 2/20 0.42
▸ FNTB P49356 2/20 0.42
▸ PGGT1B P53609 1/20 0.42

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
SCHEMBL29387981 0.97 PTGS1 (0.47) PTGS1GSTK1ACEMAPTKDM4E
SCHEMBL7553789 0.90 MAPT (0.53) MAPTSLC7A5OPRD1OPRM1OPRK1
SCHEMBL7150981 0.90 MAPT (0.53) MAPTSLC7A5OPRD1OPRM1OPRK1
SCHEMBL8727805 0.89 PTGS1 (0.43) PTGS1GSTK1SLC7A5OPRD1OPRM1
SCHEMBL31332455 0.88 PTGS1 (0.47) PTGS1GSTK1ACEMAPTKDM4E
SCHEMBL29700057 0.87 MME (0.54) MAPTSLC7A5OPRD1OPRM1OPRK1
SCHEMBL30661448 0.87 OPRD1 (0.53) MAPTSLC7A5OPRD1OPRM1OPRK1
SCHEMBL30661446 0.87 OPRD1 (0.53) MAPTSLC7A5OPRD1OPRM1OPRK1
SCHEMBL1493227 0.86 PTGS1 (0.55) PTGS1GSTK1ACEMAPTKDM4E
SCHEMBL29544382 0.86 MME (0.44) PTGS1GSTK1MAPTSLC7A5OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124552-A1 METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS BAYLOR COLLEGE OF MEDICINE 2024-04-18 — — US disclosed
CN-113373128-B Epoxide hydrolase mutant with improved catalytic efficiency and preparation method thereof 深圳市微滴科技顾问有限公司 2022-09-16 — — CN disclosed
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