SCHEMBL9636751

SCHEMBL9636751

C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.72
KMT2A Q03164 1/20 0.61
CYP3A4 P08684 3/20 0.56
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL9636759 1.00 CYP19A1 (0.72) CYP19A1KMT2ACYP3A4NR3C1PGR
SCHEMBL13752935 0.90 CYP19A1 (0.71) CYP19A1KMT2ACYP3A4NR3C1PGR
SCHEMBL9623695 0.90 CYP19A1 (0.69) CYP19A1KMT2ACYP3A4NR3C1PGR
SCHEMBL9623927 0.90 CYP19A1 (0.69) CYP19A1KMT2ACYP3A4NR3C1PGR
SCHEMBL9623699 0.90 CYP19A1 (0.69) CYP19A1KMT2ACYP3A4NR3C1PGR
SCHEMBL10625656 0.89 CYP19A1 (0.69) CYP19A1CYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL10625663 0.89 CYP19A1 (0.69) CYP19A1CYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL10630637 0.84 CYP19A1 (1.00) CYP19A1CYP3A4
SCHEMBL22863633 0.84 CYP19A1 (1.00) CYP19A1CYP3A4
SCHEMBL21265253 0.84 CYP19A1 (1.00) CYP19A1CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300062-B1 NOVEL ANDROST-4-ENE-3,17-DIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1992-07-29 EP claimed
US-4975368-A ANTICARCOGENIC AGENTS SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1990-12-04 US claimed
EP-0300062-A1 NOVEL ANDROST-4-ENE-3,17-DIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1989-01-25 EP claimed
EP-0300062-B1 NOVEL ANDROST-4-ENE-3,17-DIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1992-07-29 EP disclosed
US-5079377-A Aromatase inhibitors, treatment of breast cancer SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1992-01-07 US disclosed
US-4975368-A ANTICARCOGENIC AGENTS SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1990-12-04 US disclosed
EP-0300062-A1 NOVEL ANDROST-4-ENE-3,17-DIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1989-01-25 EP disclosed