SCHEMBL27604122

SCHEMBL27604122

CC(C)(C)OC(=O)N[C@@H](CCCCBr)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.50
▸ CTSS P25774 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PPARA Q07869 6/20 0.44
▸ PPARG P37231 5/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 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
SCHEMBL1162230 1.00 CTSK (0.50) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL16339563 0.98 CTSK (0.49) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL16339562 0.98 CTSK (0.49) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL3378213 0.95 CTSK (0.51) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL3585273 0.95 CTSK (0.51) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL3570961 0.95 CTSK (0.51) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL6745774 0.92 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL14150791 0.92 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL2062991 0.89 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2062994 0.89 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A

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
CN-1538951-B Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells DOMPE SPA 2013-08-28 — — CN disclosed
CN-1538951-A Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells ��ķ�ɷ����޹�˾ 2004-10-20 — — CN disclosed
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