SCHEMBL8528289

SCHEMBL8528289

CCOC(=O)C(CC(C)C)C(CSc1cccc2ccccc12)[PH2]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
CDC25A P30304 1/20 0.37
CDC25C P30307 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 2/20 0.35
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
CASP6 P55212 2/20 0.35
CASP8 Q14790 2/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7049697 0.83 L3MBTL1 (0.35) ALDH1A1MAPTKMT2ATSHRKDM4E
SCHEMBL7050182 0.83 MAPK1 (0.37) CDC25BALDH1A1CDC25ACDC25CMAPT
SCHEMBL8530425 0.82 MTNR1A (0.41) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL8529947 0.81 CYP3A4 (0.41) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL7449784 0.79 PRNP (0.54) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL7052059 0.71 FCER2 (0.35)
SCHEMBL7051271 0.70 USP2 (0.40) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL7052863 0.70 MMP8 (0.39) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL7051259 0.69 AVPR1A (0.37) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL7050180 0.69 HSD17B10 (0.43) CDC25BALDH1A1HPGDCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed