Valeric Acid

Valeric Acid

SCHEMBL29640699

CCCCC(=O)O.NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.56
CA1 P00915 11/20 0.56
CA9 Q16790 7/20 0.56
CA12 O43570 6/20 0.56
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.51
CA4 P22748 3/20 0.50
CA7 P43166 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR7 P34969 1/20 0.50
MAOA P21397 1/20 0.50
TSHR P16473 1/20 0.49
CA14 Q9ULX7 1/20 0.48
SOS1 Q07889 1/20 0.47

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 SCHEMBL29009893 0.85 HTR7 (0.66) LMNAHSD17B10HTR7TSHR
Benzenesulfonamide SCHEMBL9476757 0.81 CA2 (0.57) CA2CA1CA9CA12HSD17B10
Valeric Acid SCHEMBL27728287 0.78 HTR7 (0.56) HSD17B10SMN1; SMN2HTR7TSHR
Valeric Acid SCHEMBL29009917 0.77 HTR7 (0.56) LMNAHSD17B10HTR7TSHR
Sulfanilamide SCHEMBL28804990 0.76 CA2 (0.59) CA2CA1CA9CA12CA4
SCHEMBL31527705 0.75 SOS1 (0.75) CA2CA1CA9CA12CA4
SCHEMBL283919 0.75 SOS1 (0.75) CA2CA1CA9CA12CA4
Sulfanilamide SCHEMBL28805038 0.74 CA2 (0.57) CA2CA1CA9CA12CA4
Valeric Acid SCHEMBL29009862 0.74 AKR1B1 (0.56) LMNAHSD17B10HTR7TSHR
Valeric Acid SCHEMBL28272409 0.73 AKR1B1 (0.61) LMNAHSD17B10TSHR

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
CN-114450294-A Polypeptide with MMP2 inhibitory effect 大正制药株式会社 2022-05-06 CN disclosed