SCHEMBL12473492

SCHEMBL12473492

C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)SC(=O)Oc4ccccc4)=CCC23)C[C@@H](O)C[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 7/20 0.62
CYP27B1 O15528 2/20 0.62
VDR P11473 7/20 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
SCHEMBL2163897 1.00 CYP24A1 (0.62) CYP24A1CYP27B1VDR
SCHEMBL2163893 1.00 CYP24A1 (0.62) CYP24A1CYP27B1VDR
SCHEMBL12473491 1.00 CYP24A1 (0.62) CYP24A1CYP27B1VDR
SCHEMBL6935111 0.85 CYP24A1 (0.44) CYP24A1CYP27B1VDR
SCHEMBL12404634 0.82 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL7158826 0.82 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL12404639 0.82 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL7161961 0.82 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL7158824 0.82 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL18193557 0.82 CYP24A1 (0.73) CYP24A1CYP27B1VDR

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
US-7985744-B2 Administering 9,10-secopregna-5,7,10(19),16- tetraene derivative to a patient for treating skin diseases such as psoriasis CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed