SCHEMBL7576547

SCHEMBL7576547

COc1ccc(Cl)c(NC(C(=O)O)c2ccccc2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLCN2 P51788 3/20 0.55
▸ ALDH1A1 P00352 7/20 0.45
▸ LMNA P02545 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 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
SCHEMBL7164900 0.83 ALDH1A1 (0.43) CLCN2ALDH1A1LMNATDP1KDM4E
SCHEMBL7576854 0.82 PTGS2 (0.51) CLCN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7576888 0.80 CLCN2 (0.50) CLCN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7598789 0.80 ALDH1A1 (0.62) ALDH1A1LMNATDP1KDM4EMEN1
SCHEMBL7583004 0.78 ALDH1A1 (0.42) ALDH1A1LMNATDP1KDM4EMEN1
SCHEMBL7573910 0.78 ATM (0.46) ALDH1A1LMNATDP1KDM4EMEN1
SCHEMBL360635 0.78 CXCL8 (0.45) ALDH1A1LMNAMEN1KMT2AAKR1C3
SCHEMBL7573747 0.77 F2 (0.46) CLCN2ALDH1A1LMNATDP1KDM4E
SCHEMBL11271011 0.76 CXCL8 (0.44) ALDH1A1LMNAMEN1KMT2AAKR1C3
SCHEMBL6809250 0.76 CXCL8 (0.44) ALDH1A1LMNAMEN1KMT2AAKR1C3

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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