SCHEMBL9198293

SCHEMBL9198293

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.66
HIF1A Q16665 3/20 0.66
PGR P06401 3/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP3A4 P08684 1/20 0.66
ABCB11 O95342 1/20 0.66
TNF P01375 1/20 0.66
IL6 P05231 1/20 0.66
SERPINA6 P08185 1/20 0.66
NR3C2 P08235 1/20 0.66
AR P10275 1/20 0.66
GLUL P15104 1/20 0.66
ADAM17 P78536 1/20 0.66
GPBAR1 Q8TDU6 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 1/20 0.57

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
SCHEMBL9198289 1.00 NR3C1 (0.66) NR3C1HIF1APGRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL9201303 0.99 NR3C1 (0.65) NR3C1HIF1APGRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL9201297 0.99 NR3C1 (0.65) NR3C1HIF1APGRHSD17B10CYP3A4
SCHEMBL12398271 0.92 NR3C1 (0.65) NR3C1HIF1APGRHSD17B10CYP3A4
SCHEMBL9198242 0.91 NR3C1 (0.64) NR3C1HIF1APGRHSD17B10CYP3A4
SCHEMBL9198249 0.91 NR3C1 (0.64) NR3C1HIF1APGRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL9207892 0.91 NR3C1 (0.64) NR3C1HIF1APGRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL9202143 0.91 NR3C1 (0.64) NR3C1HIF1APGRHSD17B10CYP3A4
Mazipredone SCHEMBL25720 0.88 NR3C1 (0.75) NR3C1HIF1APGRHSD17B10CYP3A4
Mazipredone SCHEMBL3049961 0.88 NR3C1 (0.75) NR3C1HIF1APGRHSD17B10CYP3A4

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-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 EP claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 EP claimed