SCHEMBL28339339

SCHEMBL28339339

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC(OC(=O)C(O)C(O)C(=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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.63
▸ HSD17B10 Q99714 6/20 0.63
▸ CYP2C19 P33261 4/20 0.63
▸ PGR P06401 4/20 0.63
▸ SERPINA6 P08185 4/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ NR3C1 P04150 3/20 0.63
▸ NR3C2 P08235 3/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ SHBG P04278 2/20 0.63
▸ AR P10275 2/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ TNF P01375 1/20 0.58
▸ IL6 P05231 1/20 0.58
▸ GLUL P15104 1/20 0.58
▸ ADAM17 P78536 1/20 0.58
▸ GPBAR1 Q8TDU6 1/20 0.58

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
SCHEMBL1028311 0.94 HIF1A (0.62) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL3999013 0.92 HIF1A (0.67) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL138847 0.91 HIF1A (0.66) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL28809123 0.91 HIF1A (0.66) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL20553193 0.90 HIF1A (0.65) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL6001323 0.90 HIF1A (0.65) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL28715728 0.90 HIF1A (0.69) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL4426288 0.89 HIF1A (0.62) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL14931695 0.89 HIF1A (0.64) HIF1AHSD17B10CYP2C19PGRSERPINA6
SCHEMBL249836 0.89 HIF1A (0.64) HIF1AHSD17B10CYP2C19PGRSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113081991-B Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2022-07-15 — — CN disclosed
CN-109431965-B Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2022-04-08 — — CN disclosed
CN-113171350-A Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2021-07-27 — — CN disclosed
CN-113133980-A Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2021-07-20 — — CN disclosed
CN-113081991-A Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2021-07-09 — — CN disclosed
CN-109432039-B Pharmaceutical dosage forms and uses thereof Triastek, Inc. (CN) 2021-06-22 — — CN disclosed
CN-106236715-B Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2021-05-07 — — CN disclosed
CN-105744983-B Device and method for sustained release of therapeutic agents of low water solubility in solubilizing agents 纳米医学系统公司 2019-12-27 — — CN disclosed
Send feedback