SCHEMBL7573747

SCHEMBL7573747

COc1cc(Cl)c(NC(C(=O)O)c2ccccc2)c(Cl)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.46
▸ F10 P00742 2/20 0.46
▸ PRSS1 P07477 2/20 0.46
▸ F7 P08709 2/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ADCYAP1R1 P41586 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC6A5 Q9Y345 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GCGR P47871 1/20 0.41

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
SCHEMBL7582466 0.92 F2 (0.46) F2F10PRSS1F7PRSS2
SCHEMBL7164900 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7583004 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7576547 0.77 CLCN2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7166218 0.75 CAMK2A (0.57) CHRM4CHRM3CLCN2
SCHEMBL7573910 0.74 ATM (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL10439643 0.72 BRD4 (0.52) MEN1KMT2AALDH1A1CHRM4CHRM3
SCHEMBL7573697 0.71 CAMK2A (0.44) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL29085939 0.70 AKR1C3 (0.49) F2F10PRSS1F7PRSS2
SCHEMBL7598789 0.70 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1

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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