SCHEMBL9799836

SCHEMBL9799836

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

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
AR P10275 6/20 0.59
ALDH1A1 P00352 1/20 0.55
SHBG P04278 1/20 0.55
CYP19A1 P11511 7/20 0.52
CYP3A4 P08684 2/20 0.50

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
Oxprenoate Potassium SCHEMBL6705626 0.91 MEN1 (0.83) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6705633 0.91 MEN1 (0.83) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6706318 0.90 TDP1 (1.00) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6706323 0.90 TDP1 (1.00) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL2734190 0.90 TDP1 (1.00) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL7787101 0.89 MEN1 (0.74) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL14861097 0.84 AR (0.73) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL16146904 0.84 AR (0.73) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL16146672 0.84 AR (0.73) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL9799857 0.82 CYP19A1 (0.73) MEN1KMT2ATDP1ALDH1A1SHBG

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