SCHEMBL9619964

SCHEMBL9619964

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc2[nH]c(C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
S1PR3 Q99500 2/20 0.37
AAK1 Q2M2I8 3/20 0.36
BCHE P06276 1/20 0.36
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
PDE2A O00408 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33

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
SCHEMBL9619935 0.84 KDM4E (0.43) PTPN1CTSSCTSKS1PR3AAK1
SCHEMBL10627562 0.78 CTSS (0.43) CTSSCTSKS1PR3AAK1GABRB1
SCHEMBL10875101 0.77 CTSS (0.42) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL10631836 0.76 PTGS2 (0.47) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL6472733 0.75 TDP1 (0.44) MEN1NPC1RAB9AKMT2AGABRA1
SCHEMBL10627574 0.74 CTSS (0.40) CTSSCTSKS1PR3AAK1GABRB1
SCHEMBL481566 0.74 EGLN1 (0.40) GABRB1GABRB2PPARAMEN1KMT2A
SCHEMBL3022374 0.74 HRH4 (0.41) BCHEGABRB1GABRB2MEN1NPC1
SCHEMBL23414334 0.73 CTSS (0.50) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL31230469 0.73 GABRB1 (0.56) PTPN1CTSSCTSKS1PR3GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326887-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS AND IN THERAPEUTIC AGENTS BAYER AG (DE) 1992-09-16 EP disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4980348-A HETEROANELLATED PHENYLGLYCINE-BETA-LACTAM ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 EP disclosed