SCHEMBL23699159

SCHEMBL23699159

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1[C@H](O)C[C@@H]2O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.61
OR51E2 Q9H255 2/20 0.61
SHBG P04278 5/20 0.54
HSD17B10 Q99714 6/20 0.52
LMNA P02545 5/20 0.52
SERPINA6 P08185 4/20 0.52
CYP3A4 P08684 4/20 0.52
NR3C1 P04150 4/20 0.52
TSHR P16473 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
PGR P06401 3/20 0.52
MAPT P10636 3/20 0.52
AR P10275 2/20 0.52
SNCA P37840 2/20 0.52
CACNA1C Q13936 2/20 0.52
CYP51A1 Q16850 2/20 0.52
GPBAR1 Q8TDU6 2/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48

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
SCHEMBL23711106 1.00 CYP19A1 (0.61) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL23723902 1.00 CYP19A1 (0.61) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL25247943 1.00 CYP19A1 (0.61) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL4104457 0.86 SHBG (0.71) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL1899132 0.86 SHBG (0.71) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL1901199 0.86 SHBG (0.71) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL23711138 0.86 SHBG (0.71) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL1899136 0.86 SHBG (0.71) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL13752813 0.86 SHBG (0.71) CYP19A1OR51E2SHBGHSD17B10LMNA
SCHEMBL1331839 0.83 CYP19A1 (0.74) CYP19A1OR51E2SHBGHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212532-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS BAYER AKTIENGESELLSCHAFT (DE) 2023-07-06 US disclosed
US-20230212532-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS BAYER AKTIENGESELLSCHAFT (DE) 2023-07-06 US disclosed
EP-4100515-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS Bayer Aktiengesellschaft (DE) 2022-12-14 EP disclosed
CN-115052975-A P450 BM3 monooxygenase variants for C19-hydroxylation of steroids 拜耳公司 2022-09-13 CN disclosed
WO-2021156200-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 WO disclosed
WO-2021156200-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 WO disclosed
EP-3858986-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS Bayer Aktiengesellschaft (DE) 2021-08-04 EP disclosed
EP-3858986-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS Bayer Aktiengesellschaft (DE) 2021-08-04 EP disclosed