SCHEMBL7125817

SCHEMBL7125817

Cc1cccc(C(=O)O)c1COc1ccc(NC(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
DVL1 O14640 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PTPN1 P18031 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL6490670 0.78 HDAC1 (0.44) HDAC1RXFP1KMT2APTPN1
SCHEMBL28626965 0.77 AAK1 (0.46) HDAC1AAK1MEN1KMT2A
SCHEMBL7381558 0.75 CTSV (0.52) HDAC1DVL1MEN1KMT2ACTSV
SCHEMBL5563988 0.74 CYP1A2 (0.45) HDAC1RXFP1AAK1MEN1KMT2A
SCHEMBL246277 0.73 AAK1 (0.46) HDAC1AAK1MEN1KMT2A
SCHEMBL29765467 0.73 AAK1 (0.46) HDAC1AAK1MEN1KMT2A
SCHEMBL18687357 0.72 SIRT2 (0.50) HDAC1MEN1KMT2ASIRT2CTSV
SCHEMBL15153398 0.71 FFAR1 (0.56)
SCHEMBL3410364 0.71 HPGD (0.49) AAK1
SCHEMBL6492339 0.71 BRD4 (0.46) AAK1

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
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed