SCHEMBL10370280

SCHEMBL10370280

CCCOC(=O)C1NC(=O)NC1C(=O)OCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
ADORA2B P29275 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10369260 0.93 PPM1B (0.41) KDM4EGLAPPM1BPTPN1PPP1CC
SCHEMBL10410146 0.75 PPM1B (0.36) KDM4EGLAPPM1BPTPN1PPP1CC
SCHEMBL836832 0.75 PPM1B (0.40) KDM4EGLAPPM1BPTPN1PPP1CC
SCHEMBL8749281 0.69 LMNA (0.52) KDM4EGLAPPM1BPTPN1PPP1CC
SCHEMBL1619445 0.69 LMNA (0.52) KDM4EGLAPPM1BPTPN1PPP1CC
SCHEMBL10411310 0.68 PPM1B (0.39) KDM4EGLAPPM1BPTPN1PPP1CC
SCHEMBL10541233 0.68 ALDH1A1 (0.40) ALDH1A1LMNATDP1SMN1; SMN2ESR1
SCHEMBL10541213 0.68 ALDH1A1 (0.40) ALDH1A1LMNATDP1SMN1; SMN2ESR1
SCHEMBL14874377 0.68 PPM1B (0.58) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL14874378 0.68 PPM1B (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220435-B1 A METHOD FOR PREPARING OPTICALLY ACTIVE HALF ESTERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-11-14 EP disclosed
EP-0092194-B1 METHOD OF OBTAINING OPTICALLY ACTIVE HALF ESTERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-08 EP disclosed
EP-0220435-A1 A method for preparing optically active half esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-06 EP disclosed
EP-0092194-A1 Method of obtaining optically active half esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-26 EP disclosed