SCHEMBL9073533

SCHEMBL9073533

C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(C(=O)COS(C)(=O)=O)=CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
NFKB1 P19838 2/20 0.50
KCNH2 Q12809 2/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
RGS12 O14924 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL22038641 0.89 FNTA (0.51) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL2120270 0.87 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL21243060 0.87 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL8752386 0.87 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL17992570 0.87 FNTA (0.61) FNTAFNTBNFKB1KCNH2NFKB2
Acetic Acid SCHEMBL2582613 0.86 FNTA (0.60) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9069884 0.86 NFKB1 (0.58) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL10944464 0.85 NFKB1 (0.55) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL10394983 0.84 FNTA (0.49) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL12156704 0.80 FNTA (0.59) FNTAFNTBNFKB1KCNH2NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
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-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-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