SCHEMBL9463560

SCHEMBL9463560

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.67
PGR P06401 6/20 0.67
SHBG P04278 5/20 0.67
ALDH1A1 P00352 1/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
HIF1A Q16665 7/20 0.60
LMNA P02545 5/20 0.60
CYP2C19 P33261 5/20 0.57
HSD17B10 Q99714 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
SERPINA6 P08185 4/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
CYP3A4 P08684 2/20 0.57
NR3C2 P08235 1/20 0.57
NFKB1 P19838 1/20 0.57
MEN1 O00255 2/20 0.54
BLM P54132 2/20 0.54
ADORA3 P0DMS8 1/20 0.54

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
SCHEMBL9126888 1.00 NR3C1 (0.67) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL9126883 1.00 NR3C1 (0.67) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL18885151 0.87 HIF1A (0.77) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL8342173 0.87 HIF1A (0.77) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL6804668 0.87 HIF1A (0.77) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL8342176 0.87 HIF1A (0.77) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL9650590 0.87 HIF1A (0.77) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL11646406 0.87 HIF1A (0.79) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL11646411 0.87 HIF1A (0.79) NR3C1PGRSHBGALDH1A1ADRA1A
SCHEMBL11871735 0.86 NR3C1 (0.70) NR3C1PGRSHBGALDH1A1ADRA1A

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
US-5236912-A Treating prostate hyperplasia and carcinoma SCHERING AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed