Butyric Acid

Butyric Acid

SCHEMBL28140488

CCCC(=O)O.CCCC(=O)OC1CC(=O)C=C2CC[C@@H]3[C@H]([C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO)[C@]21C

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.59
▸ NR3C2 P08235 6/20 0.59
▸ NR3C1 P04150 4/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ PGR P06401 4/20 0.59
▸ CYP2C19 P33261 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ SERPINA6 P08185 3/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ SHBG P04278 1/20 0.59
▸ AR P10275 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ TNF P01375 1/20 0.54
▸ IL6 P05231 1/20 0.54
▸ GLUL P15104 1/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ GPBAR1 Q8TDU6 1/20 0.54

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 SCHEMBL28435896 0.97 HIF1A (0.57) HIF1ANR3C2NR3C1HSD17B10PGR
Propionic Acid SCHEMBL27929927 0.97 HIF1A (0.59) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141828 0.97 HIF1A (0.62) HIF1ANR3C2NR3C1HSD17B10PGR
Butyric Acid SCHEMBL27495006 0.96 HIF1A (0.58) HIF1ANR3C2NR3C1HSD17B10PGR
Acetic Acid SCHEMBL27804797 0.96 HIF1A (0.60) HIF1ANR3C2NR3C1HSD17B10PGR
Water SCHEMBL27961624 0.96 HIF1A (0.61) HIF1ANR3C2NR3C1HSD17B10PGR
Hydrocortisone SCHEMBL27987447 0.95 HIF1A (0.69) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL1301994 0.95 HIF1A (0.62) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL27571456 0.94 HIF1A (0.61) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL27941428 0.94 HIF1A (0.61) HIF1ANR3C2NR3C1HSD17B10PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115531473-B Compound essential oil for treating skin diseases and pharmaceutical composition containing same 梵申兰科技(上海)有限公司 2023-03-31 — — CN disclosed
CN-115670980-A Compound essential oil with skin protection effect and skin care product composition containing same 梵申兰科技(上海)有限公司 2023-02-03 — — CN disclosed
CN-115531473-A Compound essential oil for treating skin diseases and pharmaceutical composition containing same 梵申兰科技(上海)有限公司 2022-12-30 — — CN disclosed
CN-104224709-B It is a kind of based on emulsion oil-in-water and can make medicine efficiently release pharmaceutical preparation 宁波润增医疗科技有限公司 2017-06-23 — — CN disclosed
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