SCHEMBL9652155

SCHEMBL9652155

CCS(=O)(=O)Nc1cccc(C(N)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
KCNA5 P22460 1/20 0.40
ADRB3 P13945 2/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8120764 0.89 HPGD (0.42) HPGDLMNAADRB3AURKAKDR
SCHEMBL8120763 0.87 HPGD (0.41) HPGDLMNAADRB3AURKAKDR
SCHEMBL8867750 0.87 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2MEN1CYP2D6
SCHEMBL8867745 0.87 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2MEN1CYP2D6
SCHEMBL11466281 0.87 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2MEN1CYP2D6
SCHEMBL11572373 0.83 HPGD (0.43) HPGDLMNAKCNA5ADRB3AURKA
SCHEMBL22220775 0.79 CA2 (0.47) HPGDLMNAADRB3AURKAKDR
SCHEMBL9005760 0.78 BRD4 (0.40) HPGDLMNAADRB3AURKAKDR
SCHEMBL10403342 0.77 BRD4 (0.40) HPGDLMNAADRB3AURKAKDR
SCHEMBL10403343 0.77 BRD4 (0.42) HPGDLMNAADRB3AURKAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266896-B1 7-( (META-SUBSTITUTED) PHENYLGLYCINE) 1-CARBA-1-DETHIACEPHALOSPORINS ELI LILLY AND COMPANY (US) 1992-08-05 EP disclosed
EP-0266896-A1 7-( (Meta-substituted) phenylglycine) 1-carba-1-dethiacephalosporins ELI LILLY AND COMPANY (US) 1988-05-11 EP disclosed