SCHEMBL10528481

SCHEMBL10528481

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.76
CYP19A1 P11511 1/20 0.56
HSD17B10 Q99714 7/20 0.46
CYP2C19 P33261 4/20 0.46
HIF1A Q16665 4/20 0.46
SHBG P04278 3/20 0.46
SERPINA6 P08185 3/20 0.46
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
PMP22 Q01453 2/20 0.46
BLM P54132 2/20 0.46
AR P10275 3/20 0.46
PGR P06401 2/20 0.46
NR3C2 P08235 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
KCNA1 Q09470 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46

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
SCHEMBL9624269 1.00 NR3C1 (0.76) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL12704141 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL722748 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL1274268 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL23974955 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL23974907 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL1275108 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL9070362 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL18351260 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A
SCHEMBL9223381 0.91 NR3C1 (0.78) NR3C1CYP19A1HSD17B10CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP disclosed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO disclosed