SCHEMBL9799432

SCHEMBL9799432

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.69
SHBG P04278 2/20 0.60
SERPINA6 P08185 2/20 0.60
SLC22A1 O15245 1/20 0.60
ALDH1A1 P00352 1/20 0.60
THRB P10828 1/20 0.60
CYP19A1 P11511 2/20 0.56
CYP3A4 P08684 4/20 0.52
ESR2 Q92731 2/20 0.48
PGR P06401 4/20 0.45
NR3C2 P08235 2/20 0.45
NR3C1 P04150 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
SCHEMBL6841813 1.00 AR (0.69) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102603 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6241583 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102607 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836662 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841921 0.87 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL5026470 0.86 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL16875673 0.86 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL17302821 0.86 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836638 0.85 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1

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-0262201-B1 PROCESS FOR PRODUCING 7$g(a)-PROPYLSTEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed