Valeric Acid

Valeric Acid

SCHEMBL4154428

CCCCC(=O)O.N#Cc1ccc(C(=S)S)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP12 P39900 1/20 0.42
MGLL Q99685 2/20 0.41
GSK3B P49841 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SLC6A3 Q01959 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.38
AKR1B1 P15121 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HSD17B3 P37058 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HTT P42858 1/20 0.37

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
Valeric Acid SCHEMBL28472481 0.88 MMP2 (0.44) MMP2MMP12MGLLGSK3BCA1
Valeric Acid SCHEMBL27903119 0.82 CES2 (0.54) MAPTALDH1A1AKR1B1KMT2AFFAR1
SCHEMBL2370359 0.80 MEN1 (0.39) MMP2MMP12GSK3BCA1CA2
Valeric Acid SCHEMBL11762066 0.78 MMP2 (0.55) MMP2MMP12MGLLRAB9AFFAR1
SCHEMBL2369004 0.78 CA2 (0.50) GSK3BCA1CA2MAPTALDH1A1
SCHEMBL8466864 0.77 HSD17B3 (0.62) MMP2MMP12MGLLGSK3BCA1
Hexanoate SCHEMBL27512968 0.75 AKR1B1 (0.55) MAPTALDH1A1AKR1B1KMT2AFFAR1
Octanoic Acid SCHEMBL27269167 0.75 GPR84 (0.53) ALDH1A1AKR1B1KMT2AFFAR1FFAR4
SCHEMBL9352586 0.73 GSK3B (0.58) MMP2MMP12GSK3BCA1CA2
SCHEMBL29178597 0.73 HSD17B3 (0.57) MMP2MMP12GSK3BRAB9AHSD17B3

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
US-9079999-B2 Methods for preparing polymer coatings by electrochemical grafting of polymer brushes, compositions prepared thereby and compositions for preparing the coatings ADVINCULA RIGOBERTO (US) 2015-07-14 US disclosed
US-20090236229-A1 METHODS FOR PREPARING POLYMER COATINGS BY ELECTROCHEMICAL GRAFTING OF POLYMER BRUSHES, COMPOSITIONS PREPARED THEREBY AND COMPOSITIONS FOR PREPARING THE COATINGS THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-09-24 US disclosed