Butyric Acid

Butyric Acid

SCHEMBL28240805

C=CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.CCCC(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ TLR2 O60603 2/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MDM2 Q00987 1/20 0.39

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
SCHEMBL29854963 0.93 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30871961 0.93 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL799783 0.93 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25177959 0.93 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29971344 0.93 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25177960 0.93 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14279917 0.85 CASP3 (0.59) CASP3KMT2ATLR2MDM4TP53
SCHEMBL7359797 0.83 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL7103745 0.83 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120580 0.82 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2

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-103857440-B Antimycotic and antibacterium prodrug based on conjugate 维奥姆生物科学有限公司 2018-09-25 — — CN disclosed
Send feedback