Phenylacetic Acid

Phenylacetic Acid

SCHEMBL8025515

CCCCOc1ccc(C=O)cc1.NCCCC(N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
PLA2G4B P0C869 2/20 0.42
PTGES O14684 3/20 0.41
ALOX5 P09917 3/20 0.41
PPARG P37231 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Phenylacetic Acid SCHEMBL8025514 1.00 LTA4H (0.46) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Lysine SCHEMBL7792976 0.97 LTA4H (0.45) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Lysine SCHEMBL7792973 0.97 LTA4H (0.45) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Phenylacetic Acid SCHEMBL7802699 0.97 LTA4H (0.45) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Phenylacetic Acid SCHEMBL7802702 0.97 LTA4H (0.45) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Ornithine Aketoglutarate SCHEMBL7800245 0.95 LTA4H (0.49) LTA4HITGB3ITGA2BPTGESALOX5
Ornithine SCHEMBL7800241 0.95 LTA4H (0.49) LTA4HITGB3ITGA2BPTGESALOX5
Lysine SCHEMBL7798394 0.94 LTA4H (0.44) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Lysine SCHEMBL7798391 0.94 LTA4H (0.44) LTA4HLTB4RLTB4R2ITGB3ITGA2B
Phenylacetic Acid SCHEMBL7802615 0.93 LTB4R (0.44) LTA4HLTB4RLTB4R2ITGB3ITGA2B

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
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