SCHEMBL10493405

SCHEMBL10493405

CCN1CCN(C(=O)NC(C(=O)O)c2ccc(OC(=O)OCc3ccccc3)cc2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ MAPT P10636 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ SLC22A11 Q9NSA0 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ OPRK1 P41145 2/20 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
SCHEMBL10493322 0.93 CTSL (0.40) ATMCTSLCTSSMAPTPDE3A
SCHEMBL11266202 0.87 CTSL (0.38) CTSLCTSSMAPTPDE3ASLC22A6
SCHEMBL11423312 0.84 MAPT (0.39) ATMMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11423317 0.84 MAPT (0.39) ATMMAPTPDE3ASLC22A6SLC22A8
SCHEMBL8597022 0.83 ATM (0.42) ATMMAPTPDE3ASLC22A6SLC22A8
SCHEMBL7828421 0.83 ATM (0.42) ATMMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10873072 0.82 ALOX5 (0.44) SMN1; SMN2
Water SCHEMBL8600954 0.82 ATM (0.42) ATMCTSSMAPTPDE3ASLC22A6
SCHEMBL10873068 0.81 MMP2 (0.42) —
SCHEMBL9567734 0.81 MAPT (0.46) ATMMAPTPDE3ASLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4877783-A β-lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1989-10-31 — — US disclosed
US-4684641-A BACTERICIDES PFIZER INC. (US) 1987-08-04 — — US disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 — — US disclosed
EP-0168177-A2 Cephalosporin antibiotics Pfizer Limited (GB) 1986-01-15 — — EP disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP disclosed
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