SCHEMBL10353003

SCHEMBL10353003

Cc1ccc(S(=O)(=O)C[C@@H](C)[C@H]2CC[C@H]3C(O)CCC[C@]23C)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.51
CDC25B P30305 1/20 0.51
NR1H4 Q96RI1 4/20 0.41
TP53 P04637 1/20 0.39
CYP24A1 Q07973 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
SRC P12931 1/20 0.38
AXL P30530 1/20 0.38
KDR P35968 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PTK2 Q05397 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALK Q9UM73 1/20 0.38
ATIC P31939 1/20 0.37
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37

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
SCHEMBL5069245 0.90 CDC25A (0.52) CDC25ACDC25BNR1H4CYP24A1CA1
SCHEMBL9010672 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL13790493 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL9718383 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL14107816 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL10041409 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL10712009 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL10125344 0.85 CDC25A (0.49) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL25314057 0.83 CDC25A (0.53) CDC25ACDC25BNR1H4CYP24A1ATIC
SCHEMBL25314052 0.83 CDC25A (0.53) CDC25ACDC25BNR1H4CYP24A1ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230600-B1 PRODUCTION OF CHOLECALCIFEROL DERIVATIVES AND NOVEL INTERMEDIATES USED THEREFOR Teva Pharmaceutical Industries Limited (IL) 1990-06-27 EP disclosed
US-4758382-A Process for the stereospecific preparation of 24(R),25- and 24(S),25-dihydroxycholecalciferol and novel intermediates used therefor TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1988-07-19 US disclosed