SCHEMBL4110734

SCHEMBL4110734

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.70
LMNA P02545 4/20 0.63
NR3C1 P04150 3/20 0.63
PGR P06401 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP2C9 P11712 2/20 0.63
HIF1A Q16665 2/20 0.63
KMT2A Q03164 1/20 0.60
CYP19A1 P11511 7/20 0.56
SHBG P04278 3/20 0.56
AR P10275 3/20 0.55
HSD11B1 P28845 2/20 0.53
HSD11B2 P80365 2/20 0.53
NR3C2 P08235 1/20 0.53
HSD17B10 Q99714 4/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SERPINA6 P08185 2/20 0.51
SNCA P37840 2/20 0.51
CACNA1C Q13936 2/20 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
SCHEMBL13752943 1.00 CYP3A4 (0.70) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL4110739 1.00 CYP3A4 (0.70) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL6018282 0.90 CYP3A4 (0.77) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL13752924 0.90 CYP3A4 (0.69) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL6018287 0.90 CYP3A4 (0.77) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL137293 0.84 SMN1; SMN2 (0.72) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL2175877 0.84 SMN1; SMN2 (0.72) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL9636751 0.83 CYP19A1 (0.72) CYP3A4LMNANR3C1PGRSMN1; SMN2
SCHEMBL9636759 0.83 CYP19A1 (0.72) CYP3A4LMNANR3C1PGRSMN1; SMN2
6Beta-Hydroxytestosterone SCHEMBL135030 0.82 CYP3A4 (1.00) CYP3A4LMNANR3C1PGRCYP19A1

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 6 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
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