SCHEMBL7398459

SCHEMBL7398459

CC(C)c1cc(C(=O)O)ccc1C(N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
CYP1A2 P05177 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
ACE2 Q9BYF1 4/20 0.55
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM8 O00222 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
SCHEMBL8381715 1.00 GRM1 (0.68) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL13816269 0.85 ACE2 (0.61) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL661700 0.81 GRM1 (1.00) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL29393013 0.81 GRM1 (1.00) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL1078997 0.81 GRM1 (1.00) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL2269011 0.81 GRM1 (1.00) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL7575487 0.80 ACE2 (0.56) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL17014695 0.79 ACE2 (0.54) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL7594615 0.78 GRM1 (0.56) GRM1MEN1KMT2ACYP1A2TDP1
SCHEMBL7392560 0.78 GRM1 (0.66) GRM1MEN1KMT2ACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807621-A1 Derivatives of phenylglycine and use thereof as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1997-11-19 EP disclosed