SCHEMBL11049796

SCHEMBL11049796

CCCC(=O)O[C@@]1(C(=O)CCl)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 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.86
PGR P06401 4/20 0.86
NR3C1 P04150 3/20 0.86
HIF1A Q16665 9/20 0.79
KMT2A Q03164 2/20 0.79
AR P10275 2/20 0.70
CHRM1 P11229 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 2/20 0.59
SERPINA6 P08185 2/20 0.59
SHBG P04278 1/20 0.59
CYP3A4 P08684 1/20 0.59
NFKB1 P19838 1/20 0.59
LMNA P02545 2/20 0.57
PMP22 Q01453 1/20 0.56

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
SCHEMBL11049798 1.00 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11049793 1.00 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581396 0.96 HIF1A (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581392 0.96 HIF1A (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11582912 0.94 NR3C2 (0.87) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11584200 0.94 NR3C2 (0.87) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581184 0.93 NR3C2 (0.89) NR3C2PGRNR3C1HIF1AKMT2A
Resocortol Butyrate SCHEMBL2110603 0.93 NR3C2 (0.89) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11581192 0.93 NR3C2 (0.89) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL11753088 0.93 NR3C2 (0.85) 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
JP-56025200-A None JP disclosed
US-4427591-A TOPICAL ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1984-01-24 US disclosed
US-4336200-A 17α-Acyloxy-5β-corticoids THE UPJOHN COMPANY (US) 1982-06-22 US disclosed
US-4318853-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1982-03-09 US disclosed
JP-S5625200-A PREPARATION OF HYDROCORTISONE DERIVATIVE TAISHO PHARMACEUT CO LTD 1981-03-10 JP disclosed