SCHEMBL7583004

SCHEMBL7583004

COc1c(O)cc(Cl)c(NC(C(=O)O)c2ccccc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ TPMT P51580 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 3/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GPR139 Q6DWJ6 2/20 0.36
▸ MAPK1 P28482 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
SCHEMBL7164900 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1LMNAMEN1
SCHEMBL7582466 0.81 F2 (0.46) ALDH1A1KDM4EATM
SCHEMBL7573910 0.80 ATM (0.46) ALDH1A1KDM4ETDP1LMNAMEN1
SCHEMBL7573747 0.78 F2 (0.46) ALDH1A1KDM4ETDP1LMNAMEN1
SCHEMBL7576547 0.78 CLCN2 (0.55) ALDH1A1KDM4ETDP1LMNAMEN1
SCHEMBL7576888 0.77 CLCN2 (0.50) ALDH1A1CA1CA2LMNAMEN1
SCHEMBL7573697 0.77 CAMK2A (0.44) ALDH1A1CA1CA2KDM4ELMNA
SCHEMBL7574221 0.75 ALDH1A1 (0.44) ALDH1A1CA1CA2KDM4EMEN1
SCHEMBL7576854 0.73 PTGS2 (0.51) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7167535 0.72 SMN1; SMN2 (0.46) TDP1MEN1KMT2AMAPTSMN1; SMN2

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
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