SCHEMBL9547849

SCHEMBL9547849

C=C1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CCCC[C@@H]3[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.50
▸ PGR P06401 2/20 0.50
▸ CHRM2 P08172 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ AR P10275 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ CYP19A1 P11511 18/20 0.45

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
SCHEMBL20851704 0.83 ESR1 (0.55) ESR1PGRCHRM2ADORA3AR
SCHEMBL10947056 0.83 CYP19A1 (0.43) ESR1PGRCHRM2ADORA3AR
SCHEMBL10947066 0.83 CYP19A1 (0.43) ESR1PGRCHRM2ADORA3AR
SCHEMBL6689499 0.83 ESR1 (0.55) ESR1PGRCHRM2ADORA3AR
SCHEMBL20851686 0.83 ESR1 (0.55) ESR1PGRCHRM2ADORA3AR
SCHEMBL9547847 0.82 CYP19A1 (0.64) ESR1PGRARSHBGOPRM1
SCHEMBL9547834 0.80 ESR1 (0.45) ESR1PGRCHRM2ADORA3AR
SCHEMBL7861153 0.79 CYP19A1 (0.66) ESR1PGRCHRM2ADORA3AR
SCHEMBL8424668 0.76 PGR (0.50) ESR1PGRCHRM2ADORA3AR
SCHEMBL7862313 0.75 CYP19A1 (0.46) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210678-B1 NOVEL LL-METHYLENE-OESTR-15-ENES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1989-09-20 — — EP claimed
EP-0210678-A1 Novel ll-methylene-oestr-15-enes, processes for their preparation, and pharmaceutical compositions AKZO N.V. (NL) 1987-02-04 — — EP claimed
US-5236913-A Powerful gestagenic properties and only slight androgenic side effects AKZO N.V. (NL) 1993-08-17 — — US disclosed
EP-0210678-B1 NOVEL LL-METHYLENE-OESTR-15-ENES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1989-09-20 — — EP disclosed
EP-0210678-A1 Novel ll-methylene-oestr-15-enes, processes for their preparation, and pharmaceutical compositions AKZO N.V. (NL) 1987-02-04 — — EP disclosed
Send feedback