SCHEMBL10493322

SCHEMBL10493322

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ TSHR P16473 5/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP3A4 P08684 5/20 0.35
▸ CYP2C9 P11712 5/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ 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
SCHEMBL10493405 0.93 ATM (0.44) CTSLCTSSATMMAPTPDE3A
SCHEMBL11266202 0.86 CTSL (0.38) CTSLCTSSMAPTPDE3ASLC22A6
SCHEMBL10490784 0.84 MAPT (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10543158 0.83 POLB (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8600205 0.83 POLB (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10873072 0.81 ALOX5 (0.44) SMN1; SMN2
SCHEMBL28473803 0.80 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL28435235 0.80 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10873068 0.80 MMP2 (0.42) —
SCHEMBL10530994 0.79 PDE3A (0.38) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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 7 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
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 — — US disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US disclosed
EP-0043205-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1984-09-26 — — EP disclosed
US-4416883-A ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-11-22 — — US disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP disclosed
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