SCHEMBL9073248

SCHEMBL9073248

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CBr

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 5/20 0.79
▸ FNTA P49354 1/20 0.73
▸ FNTB P49356 1/20 0.73
▸ SMN1; SMN2 Q16637 10/20 0.59
▸ LMNA P02545 8/20 0.59
▸ ALDH1A1 P00352 7/20 0.59
▸ CYP3A4 P08684 7/20 0.59
▸ MAPT P10636 5/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ MAPK1 P28482 4/20 0.59
▸ SHBG P04278 4/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ POLB P06746 1/20 0.57
▸ TSHR P16473 4/20 0.57
▸ HIF1A Q16665 4/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ SLC22A2 O15244 2/20 0.57
▸ SLC22A1 O15245 2/20 0.57
▸ SLC22A3 O75751 2/20 0.57
▸ NR3C1 P04150 2/20 0.57

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
SCHEMBL20239320 0.91 SERPINA6 (0.80) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL141610 0.91 SERPINA6 (0.80) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL14382323 0.91 SERPINA6 (0.80) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL13026136 0.91 SERPINA6 (0.80) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL141611 0.91 SERPINA6 (0.80) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL8751542 0.89 FNTA (0.81) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL668966 0.88 SERPINA6 (1.00) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL15904593 0.88 SERPINA6 (1.00) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL14525642 0.88 SERPINA6 (1.00) SERPINA6FNTAFNTBSMN1; SMN2LMNA
SCHEMBL15920543 0.88 SERPINA6 (1.00) SERPINA6FNTAFNTBSMN1; SMN2LMNA

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 15 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
US-RE35053-E Intermediates for amino substituted steroids THE UPJOHN COMPANY (US) 1995-10-10 — — US 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-5380841-A Steroids as antiinflammatory agents 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-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
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 — — US disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO disclosed
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