SCHEMBL9675417

SCHEMBL9675417

CCOC(=O)C1CCNC1(C(=O)O)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
OPRM1 P35372 1/20 0.35
MAPT P10636 4/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26694795 0.92 MAPT (0.36) SMN1; SMN2GAAPPM1BPTPN1PPP1CC
SCHEMBL10568510 0.85 PPM1B (0.38) SMN1; SMN2GAAPPM1BPTPN1PPP1CC
SCHEMBL6078331 0.77 LMNA (0.38) SMN1; SMN2GAAOPRM1MAPTPOLB
SCHEMBL16671106 0.76 MAPT (0.38) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL6078736 0.74 GAA (0.36) SMN1; SMN2GAAOPRM1MAPTPOLB
SCHEMBL6076839 0.72 SMN1; SMN2 (0.35) SMN1; SMN2GAAOPRM1MAPTPOLB
Hydrochloric Acid SCHEMBL27346924 0.72 GAA (0.36) SMN1; SMN2GAAOPRM1
SCHEMBL6921588 0.70 SMN1; SMN2 (0.60) SMN1; SMN2GAAOPRM1MAPTPKM
SCHEMBL13730327 0.66 PPM1B (0.40) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL16759728 0.66 GAA (0.33) SMN1; SMN2GAAPOLBMEN1KMT2A

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-0275092-B1 PROCESS FOR PREPARING (+)-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1,7-DICARBOXYLATES SYNTEX (U.S.A.) INC. (US) 1992-06-03 EP disclosed
US-4874872-A Process for preparing (+)-2,3-dihydro-1H-pyrrolo[1,2-A]pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-10-17 US disclosed
US-4849526-A Process for preparing (±)-2,3-dihydro-1H-pyrrolo[1,2-A]pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-07-18 US disclosed
EP-0275092-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1988-07-20 EP disclosed