SCHEMBL17040641

SCHEMBL17040641

COC(=O)[C@H]1O[C@@H](C(=O)O)CC[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.47
PTPN1 P18031 3/20 0.47
PPP1CC P36873 3/20 0.47
PPP5C P53041 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
PPP1CA P62136 1/20 0.33
TFPI2 P48307 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
PMP22 Q01453 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30
SLC6A4 P31645 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
SCHEMBL21987133 0.79 PPM1B (0.50) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL8013452 0.79 PPM1B (0.50) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL17040638 0.72 PPM1B (0.38) PPM1BPTPN1PPP1CC
Cyclopropane SCHEMBL11192707 0.71 SUCNR1 (0.52) PPM1BPTPN1PPP1CCALDH1A1MAPT
Cyclohexane SCHEMBL11190361 0.71 SUCNR1 (0.52) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL24471567 0.69 PPM1B (0.36) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL30165088 0.69 PPM1B (0.36) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL69736 0.69 PPM1B (0.47) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL16570723 0.69 PPM1B (0.47) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL38319 0.68 LMNA (0.46) PPM1BPTPN1PPP1CCALDH1A1LMNA

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
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 WO disclosed