SCHEMBL4597984

SCHEMBL4597984

Cc1cccc(CCNC(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MTNR1A P48039 4/20 0.42
MTNR1B P49286 2/20 0.42
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
IAPP P10997 1/20 0.41
MAPT P10636 2/20 0.40
HMGB1 P09429 1/20 0.40

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
SCHEMBL3060044 0.88 MTNR1A (0.55) LMNAKDM4EMTNR1AMTNR1BMEN1
SCHEMBL11576902 0.84 IAPP (0.54) MTNR1AMTNR1BIAPPHMGB1
SCHEMBL10348018 0.84 ALDH1A1 (0.54) LMNATAAR1ALDH1A1HPGDMTNR1A
SCHEMBL20562323 0.81 MTNR1A (0.51) LMNAALDH1A1HPGDKDM4EMTNR1A
SCHEMBL4597216 0.81 NQO2 (0.60) LMNAHPGDCA1CA2HTT
SCHEMBL6580321 0.79 NPSR1 (0.55) ALDH1A1HPGDKDM4EHSD17B10IAPP
SCHEMBL4440889 0.78 CNR1 (0.47) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL5309632 0.77 MPO (0.56) TAAR1KDM4EHSD17B10CA12CA2
SCHEMBL3652663 0.76 TYR (0.51) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25282692 0.75 GPR84 (0.58) LMNAALDH1A1MTNR1AMTNR1BMEN1

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed