SCHEMBL7583591

SCHEMBL7583591

Cc1cc(C)cc(NC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
FPR2 P25090 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 2/20 0.41
TACR1 P25103 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 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
SCHEMBL7574752 0.87 NPSR1 (0.53) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL27940247 0.85 SYK (0.50) TDP1KMT2AALDH1A1MAPTTP53
SCHEMBL2482091 0.84 SMN1; SMN2 (0.53) KMT2AALDH1A1SMN1; SMN2FPR2MAPT
SCHEMBL16786108 0.83 CYP1A2 (0.45) TDP1CYP2D6
SCHEMBL2483521 0.81 FPR2 (0.49) TDP1ALDH1A1SMN1; SMN2FPR2KDM4E
SCHEMBL146704 0.81 FPR2 (0.49) TDP1ALDH1A1SMN1; SMN2FPR2KDM4E
SCHEMBL2483519 0.81 FPR2 (0.49) TDP1ALDH1A1SMN1; SMN2FPR2KDM4E
SCHEMBL3904896 0.81 HPGD (0.48) TDP1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7583934 0.80 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2FPR2KDM4E
SCHEMBL28534876 0.80 FPR2 (0.47) TDP1KMT2AALDH1A1SMN1; SMN2FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed