SCHEMBL9677441

SCHEMBL9677441

CCOC(=O)Oc1cc2cc(Cl)ccc2nc1OC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.39
ADORA2A P29274 1/20 0.38
CA2 P00918 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CUL4A Q13619 1/20 0.38
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
KDM4E B2RXH2 3/20 0.37
TARBP2 Q15633 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL8414903 0.89 TSHR (0.45) PTPN1RXFP1ALOX15ADORA2ACA2
SCHEMBL9335770 0.82 ALDH1A1 (0.46) GAAKDM4EALDH1A1HPGDALOX5
SCHEMBL8564405 0.76 CUL4A (0.44) CA2GAAMAPTNPSR1GPR55
SCHEMBL8559572 0.76 CUL4A (0.41) ALOX15CA2MAPTTSHRCUL4A
SCHEMBL9018597 0.75 KMT2A (0.41) PTPN1ALOX15MAPTTSHRKDM4E
SCHEMBL8560927 0.75 ALOX5 (0.41) CA2GAAMAPTNPSR1GPR55
SCHEMBL9018628 0.74 CASP1 (0.41) PTPN1ALOX15MAPTKDM4EALDH1A1
SCHEMBL4089116 0.74 SMN1; SMN2 (0.52) ALOX15GAAMAPTTSHRNPSR1
SCHEMBL9231055 0.73 ALOX5 (0.39) CA2CUL4AKDM4EALDH1A1ALOX5
SCHEMBL24453339 0.72 PPARG (0.48) ALOX15GAATSHRCUL4AHPGD

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
EP-0233150-B1 PROCESS FOR THE PREPARATION OF 2-(IMIDAZOLIN-2-YL)-PYRIDINE AND LIKE QUINOLINE-3-CARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1992-11-11 EP disclosed