SCHEMBL13669231

SCHEMBL13669231

CC(C)C1CCC2C(=O)CCC[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.49
▸ CDC25A P30304 2/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ VDR P11473 9/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL13852396 1.00 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL9010441 1.00 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL12464968 1.00 CYP19A1 (0.49) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL10125598 0.84 CDC25A (0.46) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL814645 0.84 CDC25A (0.46) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL17354893 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL3516877 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL3516879 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL9010563 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6
SCHEMBL20243735 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRHDAC6

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
EP-1656157-B1 2-METHYLENE-19-NOR-VITAMIN D2 COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 2011-12-21 — — EP disclosed
US-7598408-B2 Intermediates for synthesis of vitamin D derivatives KNC LABORATORIES CO., LTD. (JP) 2009-10-06 — — US disclosed
US-7232810-B2 2-methylene-19-nor-vitamin D2 compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-06-19 — — US disclosed
US-7232810-B2 2-methylene-19-nor-vitamin D2 compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-06-19 — — US disclosed
US-7208484-B2 Method of synthesizing 1alpha-hydroxy-2-methylene-19-nor-homopregnacalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-24 — — US disclosed
US-7208484-B2 Method of synthesizing 1alpha-hydroxy-2-methylene-19-nor-homopregnacalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-24 — — US disclosed
Send feedback