SCHEMBL7760533

SCHEMBL7760533

C[C@H](CCC[C@](C)(O)C(=O)O)[C@H]1CCC2C(=CBr)CCC[C@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.62
CDC25B P30305 1/20 0.62
VDR P11473 12/20 0.57
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SREBF1 P36956 1/20 0.53
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
GC P02774 1/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
RXRA P19793 1/20 0.52
CHRM3 P20309 1/20 0.52
CNR1 P21554 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
MAPK1 P28482 1/20 0.52
AGTR1 P30556 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL7763306 1.00 CDC25A (0.62) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL7760537 1.00 CDC25A (0.62) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL7763310 1.00 CDC25A (0.62) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL7760526 1.00 CDC25A (0.62) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL7763304 1.00 CDC25A (0.62) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL24571965 0.89 VDR (0.70) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL26324497 0.89 VDR (0.70) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL6736404 0.89 VDR (0.70) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL17888103 0.89 VDR (0.70) CDC25ACDC25BVDRMAPTSMN1; SMN2
SCHEMBL13849336 0.89 VDR (0.70) CDC25ACDC25BVDRMAPTSMN1; SMN2

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-0854138-B1 Vitamin D3 derivative and production process thereof TEIJIN LTD (JP) 2001-05-23 EP disclosed
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
US-5986112-A STEROID DERIVATIVES AS ANTITUMOR AGENTS AND BLOOD METAL CONCENTRATES TEIJIN LIMITED (JP) 1999-11-16 US disclosed
EP-0854138-A2 Vitamin D3 derivative and production process thereof TEIJIN LIMITED (JP) 1998-07-22 EP disclosed
US-5719297-A Vitamin D3 derivatives and production process thereof TEIJIN LIMITED (JP) 1998-02-17 US disclosed
EP-0712843-A1 VITAMIN D3 DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-05-22 EP disclosed