SCHEMBL9069792

SCHEMBL9069792

Cc1ccc(S(=O)(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.71
▸ PGR P06401 4/20 0.71
▸ NR3C1 P04150 14/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ TNF P01375 1/20 0.69
▸ IL6 P05231 1/20 0.69
▸ SERPINA6 P08185 1/20 0.69
▸ NR3C2 P08235 1/20 0.69
▸ AR P10275 1/20 0.69
▸ GLUL P15104 1/20 0.69
▸ ADAM17 P78536 1/20 0.69
▸ GPBAR1 Q8TDU6 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ LMNA P02545 2/20 0.67
▸ KMT2A Q03164 1/20 0.55
▸ USP2 O75604 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 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
SCHEMBL8020744 0.89 PGR (0.78) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL5524342 0.89 PGR (0.78) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL8020748 0.89 PGR (0.78) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL3214128 0.89 PGR (0.78) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL11332832 0.87 HIF1A (0.65) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL11421709 0.87 NR3C1 (0.65) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL11162301 0.86 NR3C1 (0.75) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL13368125 0.85 PGR (0.83) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL13596192 0.85 PGR (0.83) HIF1APGRNR3C1HSD17B10CYP3A4
SCHEMBL9073513 0.85 HIF1A (0.71) HIF1APGRNR3C1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506354-A ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS THE UPJOHN COMPANY (US) 1996-04-09 — — US disclosed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP disclosed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 — — US disclosed
US-5380840-A Treating spinal trauma, head injury, subarachnoid hemorrhage; reduced side effects THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
US-5380839-A Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
US-5380841-A Steroids as antiinflammatory agents THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
US-5322943-A As substituents on steroids are useful as pharmaceutical agents for treating a number of conditions THE UPJOHN COMPANY (US) 1994-06-21 — — US disclosed
US-5268477-A Containing a pyrrolidine or pyridine ring structure THE UPJOHN COMPANY (US) 1993-12-07 — — US disclosed
US-5175281-A Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders THE UPJOHN COMPANY (US) 1992-12-29 — — US disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
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