SCHEMBL9789725

SCHEMBL9789725

CCCC(=O)O[C@]1(C(=O)COS(C)(=O)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 8/20 0.80
▸ PGR P06401 4/20 0.80
▸ NR3C1 P04150 3/20 0.80
▸ HIF1A Q16665 9/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ AR P10275 2/20 0.70
▸ CHRM1 P11229 2/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ SERPINA6 P08185 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP2C19 P33261 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ SHBG P04278 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL10534803 1.00 NR3C2 (0.80) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL20829000 0.91 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL605474 0.91 NR3C2 (0.85) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11430610 0.90 PGR (0.69) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11433013 0.90 NR3C2 (0.67) NR3C2PGRNR3C1HIF1AKMT2A
Resocortol Butyrate SCHEMBL2110603 0.90 NR3C2 (0.89) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581184 0.90 NR3C2 (0.89) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581192 0.90 NR3C2 (0.89) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11425678 0.89 PGR (0.66) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL4285504 0.89 PGR (0.88) NR3C2PGRNR3C1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021408-A Administering antiinflammatory agents JOUVEINAL S.A. (FR) 1991-06-04 — — US disclosed
US-4933331-A ANTIINFLAMMATORY AGENTS JOUVEINAL, S.A. (FR) 1990-06-12 — — US disclosed
US-4861765-A 21-alkyl-, cycloalkyl- or aryl-substituted thio steroids and pharmaceutical compositions containing them JOUVEINAL (FR) 1989-08-29 — — US disclosed
EP-0208202-B1 21-SUBSTITUTED THIOSTEROIDS JOUVEINAL S.A. (FR) 1989-04-19 — — EP disclosed
EP-0208202-A1 21-Substituted thiosteroids JOUVEINAL S.A. (FR) 1987-01-14 — — EP disclosed
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