SCHEMBL9547847

SCHEMBL9547847

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 15/20 0.64
▸ SHBG P04278 4/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ PGR P06401 1/20 0.53
▸ AR P10275 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ SERPINA6 P08185 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B3 P37058 2/20 0.44
▸ SNCA P37840 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ PMP22 Q01453 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC22A1 O15245 1/20 0.43

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
SCHEMBL6833918 0.88 CYP19A1 (0.67) CYP19A1SHBGSMN1; SMN2LMNAPOLB
SCHEMBL10945246 0.82 CYP19A1 (0.60) CYP19A1SHBGSMN1; SMN2LMNAPOLB
SCHEMBL20851698 0.82 PGR (0.57) CYP19A1SHBGESR1PGRAR
SCHEMBL9194138 0.82 PGR (0.57) CYP19A1SHBGESR1PGRAR
SCHEMBL10902815 0.82 CYP19A1 (0.60) CYP19A1SHBGESR1PGRAR
SCHEMBL10596342 0.82 CYP19A1 (0.60) CYP19A1SHBGSMN1; SMN2LMNAPOLB
SCHEMBL10596334 0.82 CYP19A1 (0.60) CYP19A1SHBGSMN1; SMN2LMNAPOLB
SCHEMBL14946855 0.82 PGR (0.57) CYP19A1SHBGESR1PGRAR
SCHEMBL9547849 0.82 ESR1 (0.50) CYP19A1SHBGESR1PGRAR
SCHEMBL9547768 0.79 SHBG (0.47) CYP19A1SHBGESR1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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