SCHEMBL4116602

SCHEMBL4116602

C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)[C@@H](O)C[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.71
▸ CYP19A1 P11511 15/20 0.57
▸ SHBG P04278 3/20 0.57
▸ AR P10275 3/20 0.56
▸ LMNA P02545 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ NR3C1 P04150 2/20 0.51
▸ PGR P06401 2/20 0.51
▸ SERPINA6 P08185 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SNCA P37840 2/20 0.51
▸ CACNA1C Q13936 2/20 0.51
▸ CYP51A1 Q16850 2/20 0.51
▸ GPBAR1 Q8TDU6 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ OR51E2 Q9H255 1/20 0.51

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
SCHEMBL13752655 1.00 CYP3A4 (0.71) CYP3A4CYP19A1SHBGARLMNA
SCHEMBL4116607 1.00 CYP3A4 (0.71) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL3278189 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL14067596 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL4122472 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL135030 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL127408 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL28056047 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL13752809 0.83 CYP3A4 (1.00) CYP3A4CYP19A1SHBGARLMNA
SCHEMBL4112207 0.82 CYP19A1 (0.71) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254924-B2 Method for biocatalysis using filamentous fungi THE UNIVERSITY OF THE WEST INDIES (JM) 2022-02-22 — — US disclosed
US-11254924-B2 Method for biocatalysis using filamentous fungi THE UNIVERSITY OF THE WEST INDIES (JM) 2022-02-22 — — US disclosed
EP-2093285-B1 Method for biocatalysis using filamentous fungi UNIV THE WEST INDIES (JM) 2016-07-06 — — EP disclosed
US-20090246850-A1 METHOD FOR BIOCATALYSIS USING FILAMENTOUS FUNGI UNIVERSITY OF THE WEST INDIES, A REGIONAL INSTITUTION, ESTABLISHED BY ROYAL CHARTER (JM) 2009-10-01 — — US disclosed
US-20090246850-A1 METHOD FOR BIOCATALYSIS USING FILAMENTOUS FUNGI UNIVERSITY OF THE WEST INDIES, A REGIONAL INSTITUTION, ESTABLISHED BY ROYAL CHARTER (JM) 2009-10-01 — — US disclosed
US-20090246850-A1 METHOD FOR BIOCATALYSIS USING FILAMENTOUS FUNGI UNIVERSITY OF THE WEST INDIES, A REGIONAL INSTITUTION, ESTABLISHED BY ROYAL CHARTER (JM) 2009-10-01 — — US disclosed
EP-2093285-A1 Method for biocatalysis using filamentous fungi The University of the West Indies (JM) 2009-08-26 — — EP disclosed
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