Butyric Acid

Butyric Acid

SCHEMBL28142317

CCCC(=O)O.C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12C1CC(=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 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.57
▸ HSD17B10 Q99714 6/20 0.57
▸ NR3C1 P04150 5/20 0.57
▸ CYP2C19 P33261 5/20 0.57
▸ PGR P06401 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ SERPINA6 P08185 4/20 0.57
▸ NR3C2 P08235 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SHBG P04278 2/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ AR P10275 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ TNF P01375 1/20 0.49
▸ IL6 P05231 1/20 0.49
▸ GLUL P15104 1/20 0.49

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
SCHEMBL94105 0.94 HIF1A (0.63) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL28318620 0.92 HIF1A (0.60) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL6370137 0.91 HIF1A (0.59) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL8061818 0.91 HIF1A (0.59) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL7973569 0.90 NR3C2 (0.63) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL7766720 0.86 HIF1A (0.55) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL24461 0.84 SERPINA6 (0.57) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL2981243 0.83 HSD17B10 (0.60) HIF1AHSD17B10NR3C1CYP2C19PGR
SCHEMBL2330386 0.82 NR3C1 (0.59) HIF1AHSD17B10NR3C1CYP2C19PGR
Butyric Acid SCHEMBL28140488 0.82 HIF1A (0.59) HIF1AHSD17B10NR3C1CYP2C19PGR

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-103476412-B Aclidinium for improving sleep quality in patients with respiratory diseases 阿尔米雷尔有限公司 2017-07-14 — — CN disclosed
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