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Phenylacetic Acid

Phenylacetic Acid

SCHEMBL8723973

CC(C)Oc1ccc(NC(=S)Nc2ccc3[nH]cc(C4=CCN5CCCCC5CC4)c3c2)cc1.O=C(O)Cc1ccccc1

nearest known ligand 0.49

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.49
▸ DRD2 P14416 7/20 0.49
▸ NOS3 P29474 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ MAPT P10636 4/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36

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 SCHEMBL8708251 0.86 HTR1A (0.48) HTR1ADRD2NOS3NOS1HTR2A
Phenylacetic Acid SCHEMBL7488255 0.84 HTR1A (0.54) HTR1ADRD2NOS3NOS1MAPT
SCHEMBL8387078 0.81 NOS3 (0.44) HTR1ADRD2NOS3NOS1MAPT
SCHEMBL8721916 0.80 NOS3 (0.47) HTR1ADRD2NOS3NOS1MAPT
SCHEMBL8722143 0.79 NOS3 (0.47) HTR1ADRD2NOS3NOS1MAPT
Hydrochloric Acid SCHEMBL8709283 0.76 NOS3 (0.52) NOS3NOS1MAPTTP53POLB
SCHEMBL30908976 0.76 NOS3 (0.42) NOS3NOS1MAPTTP53POLB
SCHEMBL8725951 0.75 MAPT (0.49) NOS3NOS1MAPTPOLBLMNA
SCHEMBL8708647 0.75 NOS3 (0.51) NOS3NOS1MAPTTP53POLB
SCHEMBL9093343 0.75 HTR1A (0.51) HTR1ADRD2NOS3NOS1MAPT

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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 — — EP disclosed