SCHEMBL14931695

SCHEMBL14931695

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC(OC(=O)CCC(=O)OC5CC(=O)C=C6CC[C@@H]7[C@H]([C@@H](O)C[C@@]8(C)[C@H]7CC[C@]8(O)C(=O)CO)[C@]65C)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.64
▸ HSD17B10 Q99714 5/20 0.64
▸ NR3C1 P04150 4/20 0.64
▸ PGR P06401 4/20 0.64
▸ SERPINA6 P08185 4/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ CYP2C19 P33261 3/20 0.64
▸ NR3C2 P08235 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ SHBG P04278 2/20 0.64
▸ AR P10275 2/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ TNF P01375 1/20 0.59
▸ IL6 P05231 1/20 0.59
▸ GLUL P15104 1/20 0.59
▸ ADAM17 P78536 1/20 0.59
▸ GPBAR1 Q8TDU6 1/20 0.59

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
SCHEMBL249836 1.00 HIF1A (0.64) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL6001323 0.99 HIF1A (0.65) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL27571456 0.97 HIF1A (0.61) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL27941428 0.97 HIF1A (0.61) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL1301994 0.96 HIF1A (0.62) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL1535104 0.96 HIF1A (0.63) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL141828 0.95 HIF1A (0.62) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL28809123 0.95 HIF1A (0.66) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL41085 0.94 HIF1A (0.63) HIF1AHSD17B10NR3C1PGRSERPINA6
SCHEMBL141360 0.94 HIF1A (0.61) HIF1AHSD17B10NR3C1PGRSERPINA6

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-114728154-A Silk fibroin-based microneedles and uses thereof 瓦克塞斯技术公司 2022-07-08 — — CN disclosed
EP-2738172-A1 New bicyclic compounds as crac channel modulators Almirall, S.A. (ES) 2014-06-04 — — EP disclosed
EP-2592078-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities Almirall, S.A. (ES) 2013-05-15 — — EP disclosed
CN-101874023-A Alkylthio pyrimidines as CRTH2 antagonists ACTIMIS PHARMACEUTICALS INC 2010-10-27 — — CN disclosed
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