Valeric Acid

Valeric Acid

SCHEMBL28435896

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.CCCCC(=O)O

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.57
▸ NR3C2 P08235 6/20 0.57
▸ NR3C1 P04150 5/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ PGR P06401 4/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ SERPINA6 P08185 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ SHBG P04278 1/20 0.57
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ AR P10275 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ TNF P01375 1/20 0.53
▸ IL6 P05231 1/20 0.53
▸ GLUL P15104 1/20 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
Butyric Acid SCHEMBL28140488 0.97 HIF1A (0.59) HIF1ANR3C2NR3C1HSD17B10PGR
Propionic Acid SCHEMBL27929927 0.95 HIF1A (0.59) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141828 0.95 HIF1A (0.62) HIF1ANR3C2NR3C1HSD17B10PGR
Acetic Acid SCHEMBL27804797 0.95 HIF1A (0.60) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141360 0.95 HIF1A (0.61) HIF1ANR3C2NR3C1HSD17B10PGR
Water SCHEMBL27961624 0.95 HIF1A (0.61) HIF1ANR3C2NR3C1HSD17B10PGR
Butyric Acid SCHEMBL27495006 0.93 HIF1A (0.58) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL5084683 0.93 HIF1A (0.62) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL1301994 0.93 HIF1A (0.62) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL3488313 0.93 HIF1A (0.63) 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-111529684-A Use of oral sustained release compositions containing cyclosporin 卓越治疗有限公司 2020-08-14 — — CN claimed
CN-113661169-A Phosphoramidate triphosphate salts of nucleotides as anticancer compounds 努卡那有限公司 2021-11-16 — — CN disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN disclosed
CN-111655681-A Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase 莱德克斯制药公共有限公司 2020-09-11 — — CN disclosed
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