SCHEMBL7888317

SCHEMBL7888317

C[C@H](CC=O)[C@H]1CCC2/C(=C/I)CCC[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.55
CDC25B P30305 1/20 0.55
VDR P11473 7/20 0.48
HDAC6 Q9UBN7 5/20 0.47
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7888321 1.00 CDC25A (0.55) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7888323 1.00 CDC25A (0.55) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7880449 0.90 CDC25A (0.52) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL12361323 0.90 CDC25A (0.52) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7880452 0.90 CDC25A (0.52) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7880445 0.90 CDC25A (0.52) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL16882253 0.88 CDC25A (0.53) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7888395 0.81 CDC25A (0.51) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7888397 0.81 CDC25A (0.51) CDC25ACDC25BVDRHDAC6HDAC3
SCHEMBL7888393 0.81 CDC25A (0.51) CDC25ACDC25BVDRHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177586-B1 USEFUL AS A PHARMACEUTICAL SUCH AS AN AGENT FOR PROMOTING BONE FORMATION, AN AGENT FOR SUPPRESSING PROLIFERATION OF TUMOR CELLS, AN AGENT FOR HIGH CALCIUM BLOOD DISEASES, AND AN IMMUNOSUPPRESSION AGENT TEIJIN LIMITED (JP) 2001-01-23 US disclosed
EP-0712843-B1 VITAMIN D3 DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 1999-11-17 EP disclosed
US-5986112-A STEROID DERIVATIVES AS ANTITUMOR AGENTS AND BLOOD METAL CONCENTRATES TEIJIN LIMITED (JP) 1999-11-16 US disclosed
EP-0712843-A1 VITAMIN D3 DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-05-22 EP disclosed