SCHEMBL11032906

SCHEMBL11032906

CCOCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CC(C)C4=CC(=O)C=C(O)[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.46
NR3C2 P08235 7/20 0.43
CYP3A4 P08684 6/20 0.43
NR3C1 P04150 6/20 0.43
PGR P06401 5/20 0.43
LMNA P02545 3/20 0.43
ABCC4 O15439 2/20 0.43
ABCB11 O95342 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ESR1 P03372 1/20 0.43
SHBG P04278 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HRH2 P25021 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR2 Q92731 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL11032902 1.00 AR (0.46) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL10905040 0.92 AR (0.47) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL10905046 0.92 AR (0.47) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL6563204 0.88 PGR (0.56) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL6567035 0.88 PGR (0.56) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL6563196 0.88 PGR (0.56) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL6563200 0.88 PGR (0.56) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL5180250 0.79 HSD17B10 (0.57) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL6565563 0.79 HSD17B10 (0.57) ARNR3C2CYP3A4NR3C1PGR
SCHEMBL3700732 0.79 HSD17B10 (0.57) ARNR3C2CYP3A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072546-B1 HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-09 EP claimed