Phenylbutanoic Acid

Phenylbutanoic Acid

SCHEMBL5010097

CCCCCCC(CCCCC)C(=O)O.O=C(O)CCCc1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
MAPK1 P28482 1/20 0.60
ADRA1A P35348 1/20 0.60
HDAC4 P56524 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC1 Q13547 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
S1PR1 P21453 4/20 0.53
S1PR3 Q99500 3/20 0.53
S1PR2 O95136 3/20 0.53

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
SCHEMBL10869949 0.91 GRIK1 (0.55) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL30839920 0.91 GRIK1 (0.55) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL11305180 0.91 GRIK1 (0.55) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL8904462 0.91 GRIK1 (0.59) S1PR1S1PR2CPB2GRIK1PTGES
SCHEMBL5385323 0.91 GRIK1 (0.55) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL28807882 0.91 GRIK1 (0.59) S1PR1S1PR2CPB2GRIK1PTGES
SCHEMBL355603 0.91 GRIK1 (0.55) MAPTRXFP1S1PR1S1PR3S1PR2
SCHEMBL8904064 0.90 GRIK1 (0.60) CPB2GRIK1PTGESALOX5PPARG
Phenylbutanoic Acid SCHEMBL29875876 0.89 SMN1; SMN2 (0.48) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL28543983 0.89 MAPT (0.58) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed