SCHEMBL2893082

SCHEMBL2893082

COC(=O)c1ccc(CNC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.52
▸ EPHX2 P34913 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TEAD1 P28347 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ CXCR4 P61073 1/20 0.43
▸ ACHE P22303 2/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ EPHX1 P07099 1/20 0.43

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
SCHEMBL4214296 0.86 CHKA (0.50) DRD4EPHX2ALDH1A1SMN1; SMN2MEN1
SCHEMBL2734359 0.86 HDAC1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL2797701 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL6418433 0.84 DRD4 (0.56) DRD4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5070257 0.83 HDAC1 (0.64) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21088372 0.82 HDAC1 (0.67) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2651787 0.82 HDAC1 (0.51) ALDH1A1SMN1; SMN2HDAC1HPGDLMNA
SCHEMBL377906 0.82 DRD4 (0.64) DRD4TEAD1MEN1KMT2ACXCR4
SCHEMBL8265691 0.81 GPR119 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL4771649 0.81 RAB9A (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A

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-2164829-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2010-03-24 — — EP disclosed
WO-2008150089-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2008-12-11 — — WO disclosed
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