SCHEMBL7582466

SCHEMBL7582466

COc1c(OCc2ccccc2)cc(Cl)c(NC(C(=O)O)c2ccccc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.46
▸ F10 P00742 5/20 0.46
▸ PRSS1 P07477 5/20 0.46
▸ F7 P08709 5/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ F3 P13726 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ CHRM4 P08173 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CLCN2 P51788 1/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ PTPN12 Q05209 1/20 0.42
▸ PTPN13 Q12923 1/20 0.42
▸ SSU72 Q9NP77 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL7573747 0.92 F2 (0.46) F2F10PRSS1F7PRSS2
SCHEMBL10439643 0.81 BRD4 (0.52) CHRM4CHRM3CLCN2KDM4EALDH1A1
SCHEMBL7583004 0.81 ALDH1A1 (0.42) ATMKDM4EALDH1A1
SCHEMBL7164900 0.78 ALDH1A1 (0.43) CLCN2ATMKDM4EALDH1A1
SCHEMBL7161965 0.75 CAMK2A (0.57) CHRM4CHRM3CLCN2CYP2C9CTSV
SCHEMBL7576547 0.74 CLCN2 (0.55) CLCN2ATMKDM4EALDH1A1
SCHEMBL7573910 0.74 ATM (0.46) ATMKDM4EALDH1A1
SCHEMBL10439760 0.74 CLCN2 (0.52) CHRM4CHRM3CLCN2KDM4EALDH1A1
SCHEMBL10439762 0.72 CLCN2 (0.50) CHRM4CHRM3CLCN2KDM4EALDH1A1
SCHEMBL10439653 0.72 CLCN2 (0.42) CHRM4CHRM3CLCN2KDM4EALDH1A1

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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