SCHEMBL10597455

SCHEMBL10597455

COC(=O)CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.87
PGR P06401 4/20 0.87
NR3C1 P04150 3/20 0.87
HIF1A Q16665 9/20 0.86
KMT2A Q03164 2/20 0.86
AR P10275 3/20 0.69
CHRM1 P11229 2/20 0.69
CYP2C19 P33261 2/20 0.68
HSD17B10 Q99714 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NFKB1 P19838 2/20 0.68
SERPINA6 P08185 2/20 0.68
SHBG P04278 1/20 0.68
CYP3A4 P08684 1/20 0.68
MAPT P10636 1/20 0.68
PMP22 Q01453 1/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 2/20 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
SCHEMBL10597451 1.00 NR3C2 (0.87) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL29060653 0.94 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL221482 0.94 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14339600 0.93 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL21111521 0.93 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14936050 0.93 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL11209085 0.93 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14473210 0.93 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL111478 0.93 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL4695 0.93 NR3C2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136586-B1 NOVEL CORTICOID DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI KASEI CORPORATION (JP) 1989-03-01 EP claimed
US-4602009-A Corticoid derivatives and process for production thereof MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-22 US claimed
US-4602009-A Corticoid derivatives and process for production thereof MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-22 US disclosed
EP-0136586-A2 Novel corticoid derivatives and process for production thereof MITSUBISHI KASEI CORPORATION (JP) 1985-04-10 EP disclosed