SCHEMBL8775713

SCHEMBL8775713

COc1ccc(CC(N)(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
LDHA P00338 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
EPHX1 P07099 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL29415188 0.86 MMP1 (0.50) LTA4HMMP1MMP13SMN1; SMN2HIF1A
SCHEMBL22190045 0.84 SMN1; SMN2 (0.62) KIF11KMT2ASMN1; SMN2HIF1ACES2
Methane SCHEMBL29238356 0.82 SMN1; SMN2 (0.60) KIF11KMT2ASMN1; SMN2HIF1ACES2
SCHEMBL17964411 0.80 LTA4H (0.55) KIF11KMT2ALTA4HSMN1; SMN2
SCHEMBL15553813 0.80 KMT2A (0.51) KIF11KMT2ALTA4HUSP2TP53
SCHEMBL7384803 0.79 LDHA (0.51) LTA4HLDHASMN1; SMN2ALDH1A1NPC1
SCHEMBL15553272 0.79 CHRM1 (0.47) KMT2ALTA4HUSP2TP53
SCHEMBL8976499 0.78 LTA4H (0.52) KIF11KMT2ALTA4HMMP1MMP13
SCHEMBL1424653 0.78 BLM (0.67) KMT2AUSP2MMP1MMP13LDHA
SCHEMBL1970323 0.78 MEN1 (0.65) KIF11KMT2ALDHAALDH1A1

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-0806426-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-11-12 EP disclosed
EP-0801069-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-10-15 EP disclosed
EP-0747383-A2 Polyamine salts of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1996-12-11 EP disclosed
EP-0672670-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed