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Hippuric Acid

Hippuric Acid

SCHEMBL1838491

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O.CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1)C(=O)O.O=C(O)CNC(=O)c1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TPH1TPH2

The experimentally established mechanism targets of Hippuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.49
▸ OPRM1 P35372 5/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ GRPR P30550 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ CDYL2 Q8N8U2 1/20 0.39

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
Hippuric Acid SCHEMBL4199206 0.94 MME (0.43) OPRD1OPRM1OPRK1
Hippuric Acid SCHEMBL27593894 0.94 MME (0.43) OPRD1OPRM1OPRK1
SCHEMBL1275443 0.93 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
SCHEMBL17925467 0.93 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
SCHEMBL1674833 0.93 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
Hydrochloric Acid SCHEMBL30196080 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
Water SCHEMBL1433018 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
Water SCHEMBL1433025 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
Water SCHEMBL28629638 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1GRPRCTSB
SCHEMBL4671172 0.88 OPRD1 (0.42) OPRD1OPRM1OPRK1

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
EP-2320751-A2 WHEY PROTEIN HYDROLYSATE CONTAINING TRYPTOPHAN PEPTIDE CONSISTING OF ALPHA LACTALBUMIN AND THE USE THEREOF Technische Universität Dresden (DE) 2011-05-18 — — EP disclosed
WO-2010000801-A2 WHEY PROTEIN HYDROLYSATE CONTAINING TRYPTOPHAN PEPTIDE CONSISTING OF ALPHA LACTALBUMIN AND THE USE THEREOF Technische Universität Dresden (DE) 2010-01-07 — — WO disclosed
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