SCHEMBL7787104

SCHEMBL7787104

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SHBG P04278 2/20 0.48
CYP19A1 P11511 12/20 0.46
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL6705623 0.88 MEN1 (0.57) MEN1KMT2ATDP1SHBGCYP19A1
SCHEMBL6705617 0.88 MEN1 (0.57) MEN1KMT2ATDP1SHBGCYP19A1
Potassium Ion SCHEMBL6708622 0.85 TDP1 (0.70) MEN1KMT2ATDP1SHBGCYP19A1
Potassium Ion SCHEMBL6708624 0.85 TDP1 (0.70) MEN1KMT2ATDP1SHBGCYP19A1
Potassium Ion SCHEMBL6708618 0.85 TDP1 (0.70) MEN1KMT2ATDP1SHBGCYP19A1
SCHEMBL7787101 0.82 MEN1 (0.74) MEN1KMT2ATDP1SHBGCYP19A1
SCHEMBL11121143 0.79 SHBG (0.51) MEN1KMT2ATDP1SHBGCYP19A1
SCHEMBL11122760 0.78 CYP19A1 (0.51) MEN1KMT2ATDP1SHBGCYP19A1
SCHEMBL11743506 0.74 SHBG (0.53) MEN1KMT2ATDP1SHBGCYP19A1
SCHEMBL11743496 0.74 SHBG (0.53) MEN1KMT2ATDP1SHBGCYP19A1

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-0055170-B1 3-KETO-DELTA-4 OR DELTA-1,4 STEROID DERIVATIVES SUBSTITUTED AT POSITION 7, THEIR PREPARATION, THEIR UTILIZATION AS PHARMACEUTICAL COMPOSITIONS, AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1984-10-24 EP claimed