SCHEMBL7145089

SCHEMBL7145089

CC(CO)[C@H]1CCC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 5/20 0.42
CDC25B P30305 3/20 0.42
PPM1D O15297 3/20 0.40
DHCR24 Q15392 1/20 0.32
SRD5A2 P31213 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL7145024 1.00 CDC25A (0.42) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL8201371 1.00 CDC25A (0.42) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL3182273 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL8213600 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL3182269 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL13343108 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL3182280 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL14005368 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL14107823 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2
SCHEMBL14107824 0.94 CDC25A (0.47) CDC25ACDC25BPPM1DDHCR24SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998455-B1 DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONDS IN THE SIDE CHAIN HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6153605-A Arylsecocholadiene derivatives HOFFMAN-LA ROCHE INC. (US) 2000-11-28 US disclosed
US-5994569-A USEFUL IN THE TREATMENT OR PREVENTION OF VITAMIN D DEPENDENT DISORDERS AND OF IL-12-DEPENDENT AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-11-30 US disclosed
US-5919986-A SKIN DISORDERS; OSTEOPOROSIS; KIDNEY DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. (US) 1999-07-06 US disclosed
US-5905074-A SKIN DISORDERS, ANTITUMOR AGENTS, VITAMIN D DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1999-05-18 US disclosed