SCHEMBL9600741

SCHEMBL9600741

C=CCOC(=O)NC(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
MAPT P10636 1/20 0.52
CASP1 P29466 12/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.45

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
SCHEMBL732002 0.86 ATM (0.50) ATMMAPTCASP1ALDH1A1CYP2C19
SCHEMBL11686027 0.80 ATM (0.42) ATMMAPTCASP1ALDH1A1CYP3A4
SCHEMBL21606739 0.80 ATM (0.48) ATMALDH1A1CYP2C19
SCHEMBL1200736 0.80 ATM (0.62) ATMMAPT
SCHEMBL1200775 0.80 ATM (0.62) ATMMAPT
SCHEMBL1200738 0.80 ATM (0.62) ATMMAPT
SCHEMBL3255533 0.78 ATM (0.77) ATMCASP1ALDH1A1CYP3A4CYP2C19
SCHEMBL1362502 0.78 ATM (0.77) ATMCASP1ALDH1A1CYP3A4CYP2C19
SCHEMBL7719287 0.78 ATM (0.77) ATMCASP1ALDH1A1CYP3A4CYP2C19
SCHEMBL434233 0.78 ATM (0.77) ATMCASP1ALDH1A1CYP3A4CYP2C19

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-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed