SCHEMBL10596148

SCHEMBL10596148

NC(C(=O)O)c1cc(O)c(O)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
GRM1 Q13255 7/20 0.50
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
CYP2C9 P11712 3/20 0.41
GRM2 Q14416 2/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 2/20 0.39
RGS12 O14924 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL3620858 0.78 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL19426166 0.78 KMT2A (0.40) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL10595878 0.78 KDM6B (0.39) MEN1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL10595884 0.78 KDM6B (0.39) MEN1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL8622029 0.77 MEN1 (0.54) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL30938556 0.77 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL29370768 0.77 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL12648575 0.77 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4GRM1
Hydrochloric Acid SCHEMBL8617929 0.76 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL9351094 0.73 CYP3A4 (0.35) MEN1KMT2ACYP1A2CYP3A4GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131174-B1 SUBSTITUTED PHENYLGLYCINE DERIVATIVES OF BETA-LACTAM ANTIBIOTICS BEECHAM GROUP PLC (GB) 1989-09-13 EP disclosed
US-4684639-A Antibacterial penicillins and cephalosporins BEECHAM GROUP (GB) 1987-08-04 US disclosed
EP-0131174-A1 Substituted phenylglycine derivatives of beta-lactam antibiotics BEECHAM GROUP PLC (GB) 1985-01-16 EP disclosed