SCHEMBL10820224

SCHEMBL10820224

CC[C@@H](C)C1CC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ VDR P11473 9/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14523027 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL817082 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL817094 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL10125598 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL4903376 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL814645 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL4787102 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL14112429 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL814138 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL13790311 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831161-B1 MEDICAL AND COSMETIC USES OF 2-METHYLENE-19-NOR-(20R)-1-ALPHA-HYDROXY-BISHOMOPREGNACALCIFEROL WISCONSIN ALUMNI RES FOUND (US) 2017-07-26 — — EP disclosed
US-8222235-B2 2-methylene-19-nor-(20R)-1α-hydroxy-bishomopregnacalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-17 — — US disclosed
US-8222235-B2 2-methylene-19-nor-(20R)-1α-hydroxy-bishomopregnacalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-17 — — US disclosed
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