Phenylacetic Acid

Phenylacetic Acid

SCHEMBL7802632

CCCC(=O)Nc1ccc(C=O)cc1.N.NCCC[C@H](N)C(=O)O.O=C(O)Cc1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
Lysine SCHEMBL7802695 0.97 LTA4H (0.46) LTA4HMAPTALDH1A1HPGDSLC1A3
Phenylacetic Acid SCHEMBL7802503 0.95 LTA4H (0.48) LTA4HMAPTALDH1A1HPGDSLC1A3
Phenylacetic Acid SCHEMBL7802505 0.95 LTA4H (0.48) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7798424 0.93 LTA4H (0.47) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7798422 0.93 LTA4H (0.47) LTA4HMAPTALDH1A1HPGDSLC1A3
Ornithine SCHEMBL7800424 0.92 MEN1 (0.42) LTA4HMAPTALDH1A1HPGDSLC1A3
Ornithine SCHEMBL7798134 0.91 LTA4H (0.49) LTA4HMAPTALDH1A1HPGDSLC1A3
Ornithine Aketoglutarate SCHEMBL7803179 0.91 LTA4H (0.49) LTA4HMAPTALDH1A1HPGDSLC1A3
Phenylacetic Acid SCHEMBL7800120 0.91 LTA4H (0.47) LTA4HMAPTALDH1A1SLC1A3SLC1A2
Phenylacetic Acid SCHEMBL7800123 0.91 LTA4H (0.47) LTA4HMAPTALDH1A1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed