Phenylbutanoic Acid

Phenylbutanoic Acid

SCHEMBL7703557

O=C(O)CCCc1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.84
HDAC3 O15379 3/20 0.84
HDAC2 Q92769 3/20 0.84
HDAC8 Q9BY41 3/20 0.84
HDAC6 Q9UBN7 3/20 0.84
HDAC5 Q9UQL6 3/20 0.84
HDAC4 P56524 2/20 0.84
HDAC7 Q8WUI4 2/20 0.84
HDAC10 Q969S8 2/20 0.84
HDAC11 Q96DB2 2/20 0.84
HDAC9 Q9UKV0 2/20 0.84
MAPK1 P28482 1/20 0.84
ADRA1A P35348 1/20 0.84
SLC6A3 Q01959 1/20 0.84
SMN1; SMN2 Q16637 1/20 0.84
MAPT P10636 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
AKR1B1 P15121 1/20 0.68
KEAP1 Q14145 1/20 0.63
FFAR1 O14842 3/20 0.61

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
SCHEMBL11477107 0.92 SMN1; SMN2 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1021513 0.92 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL21219015 0.92 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1716 0.92 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL31228551 0.90 HDAC1 (0.95) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL29272542 0.90 HDAC1 (0.95) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL2010634 0.90 HDAC1 (0.95) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL726614 0.90 HDAC1 (0.95) HDAC1HDAC3HDAC2HDAC8HDAC6
Adipic Acid SCHEMBL5506667 0.90 AKR1B1 (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL28684695 0.90 HDAC1 (0.95) HDAC1HDAC3HDAC2HDAC8HDAC6

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-6355677-B1 REDUCING CONCENTRATION OF FATTY ACID THE JOHNS HOPKINS UNIVERSITY 2002-03-12 US claimed