SCHEMBL7787101

SCHEMBL7787101

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
AR P10275 11/20 0.57
ALDH1A1 P00352 1/20 0.48
SHBG P04278 1/20 0.48
CYP19A1 P11511 4/20 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
SCHEMBL9799836 0.89 MEN1 (0.81) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6705633 0.88 MEN1 (0.83) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6705626 0.88 MEN1 (0.83) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6706323 0.85 TDP1 (1.00) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL6706318 0.85 TDP1 (1.00) MEN1KMT2ATDP1ARALDH1A1
Oxprenoate Potassium SCHEMBL2734190 0.85 TDP1 (1.00) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL9404138 0.83 AR (0.62) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL7787111 0.83 AR (0.62) MEN1KMT2ATDP1ARALDH1A1
SCHEMBL7787104 0.82 MEN1 (0.51) MEN1KMT2ATDP1ARSHBG
SCHEMBL16146904 0.82 AR (0.73) MEN1KMT2ATDP1ARALDH1A1

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-0863760-B1 USE OF ANTIMINERALOCORTICOID COMPOUNDS AGAINST DRUG WITHDRAWAL SYNDROME AVENTIS PHARMA SA (FR) 2001-12-05 EP claimed
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 claimed