SCHEMBL11297403

SCHEMBL11297403

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
AR P10275 11/20 0.63
CYP19A1 P11511 5/20 0.52
ALDH1A1 P00352 1/20 0.48
SHBG P04278 1/20 0.48

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 SCHEMBL6705633 0.89 MEN1 (0.83) MEN1KMT2ATDP1ARCYP19A1
Oxprenoate Potassium SCHEMBL6705626 0.89 MEN1 (0.83) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL11119304 0.87 AR (0.72) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL14861097 0.86 AR (0.73) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL16146904 0.86 AR (0.73) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL16146672 0.86 AR (0.73) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL16146538 0.85 AR (0.72) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL14861186 0.85 AR (0.72) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL16145912 0.83 MEN1 (0.64) MEN1KMT2ATDP1ARCYP19A1
SCHEMBL14861152 0.83 MEN1 (0.64) MEN1KMT2ATDP1ARCYP19A1

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
EP-0018245-B1 7-ALKYL STEROID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1982-06-02 EP disclosed
EP-0018245-A1 7-Alkyl steroid derivatives, process for their preparation, their use in medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1980-10-29 EP disclosed