SCHEMBL11095036

SCHEMBL11095036

COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]3(O)CCC(=O)O)[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.44
NR3C1 P04150 5/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 6/20 0.39
HIF1A Q16665 5/20 0.39
PGR P06401 5/20 0.39
CYP3A4 P08684 3/20 0.39
ABCB11 O95342 2/20 0.39
AR P10275 2/20 0.39
TNF P01375 1/20 0.39
IL6 P05231 1/20 0.39
SERPINA6 P08185 1/20 0.39
NR3C2 P08235 1/20 0.39
GLUL P15104 1/20 0.39
ADAM17 P78536 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ABCC4 O15439 1/20 0.38

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
SCHEMBL11095042 1.00 SHBG (0.44) SHBGNR3C1LMNAMAPTHSD17B10
SCHEMBL6708645 0.84 AR (0.49) SHBGNR3C1LMNAHSD17B10HIF1A
SCHEMBL11027166 0.84 AR (0.49) SHBGNR3C1LMNAHSD17B10HIF1A
SCHEMBL11111005 0.84 SHBG (0.45) SHBGNR3C1LMNAMAPTHSD17B10
SCHEMBL11027165 0.84 AR (0.49) SHBGNR3C1LMNAHSD17B10HIF1A
SCHEMBL11129293 0.84 SHBG (0.45) SHBGNR3C1LMNAMAPTHSD17B10
SCHEMBL6706329 0.83 SHBG (0.44) SHBGNR3C1LMNAMAPTHSD17B10
SCHEMBL10947065 0.83 AR (0.49) SHBGNR3C1LMNAHSD17B10HIF1A
SCHEMBL10955541 0.83 AR (0.49) SHBGNR3C1LMNAHSD17B10HIF1A
SCHEMBL11110732 0.83 CYP19A1 (0.44) SHBGNR3C1LMNAMAPTHSD17B10

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
US-4450107-A 7α-Alkoxycarbonyl-15β,16β-methylene-4-androstenes, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1984-05-22 US claimed
US-4450107-A 7α-Alkoxycarbonyl-15β,16β-methylene-4-androstenes, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed