SCHEMBL11113166

SCHEMBL11113166

COc1ccc(C(=O)O)c(Nc2cc(Cl)ccc2C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.79
AKR1C2 P52895 15/20 0.79
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PKM P14618 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
GRIK1 P39086 2/20 0.65
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL4848735 0.89 AKR1C3 (0.64) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL10834344 0.88 AKR1C3 (0.84) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL8130645 0.86 MEN1 (0.68) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL11603313 0.85 GRIK1 (0.62) AKR1C3AKR1C2MEN1KMT2AGRIK1
SCHEMBL28404353 0.85 AKR1C3 (0.81) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL11108122 0.84 AKR1C3 (0.72) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL11301337 0.84 GRIK1 (0.60) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL9595058 0.81 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL1308442 0.80 KMT2A (1.00) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL293867 0.80 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2ALMNA

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
US-4447453-A 2,2'-IMINODIBENZOIC ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1984-05-08 US claimed