SCHEMBL8489736

SCHEMBL8489736

COc1cc2c(cc1O)[C@H]1CC[C@]3(C)C(O)CC[C@H]3[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 1.00
CYP1B1 Q16678 2/20 1.00
CYP19A1 P11511 5/20 0.91
HSD17B10 Q99714 4/20 0.91
LMNA P02545 4/20 0.91
CYP1A2 P05177 3/20 0.91
CYP3A4 P08684 2/20 0.91
MEN1 O00255 2/20 0.91
GAA P10253 2/20 0.91
MAPT P10636 2/20 0.91
KMT2A Q03164 2/20 0.91
SHBG P04278 2/20 0.91
TSHR P16473 2/20 0.91
CYP2C19 P33261 2/20 0.91
TP53 P04637 1/20 0.91
NFKB1 P19838 1/20 0.91
THPO P40225 1/20 0.91
GMNN O75496 1/20 0.91
MTOR P42345 1/20 0.91
BLM P54132 1/20 0.91

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
SCHEMBL4896510 1.00 CYP1A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL119439 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL8796 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL26936622 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL7052497 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL23261536 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL14252882 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL13123068 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL29357742 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL2610023 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001142-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ANGIOSTATIC STEROID COMBINED WITH A HYALURONAN HYAL PHARMACEUTICAL CORPORATION (CA) 1999-01-14 WO claimed