SCHEMBL14529371

SCHEMBL14529371

CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCC(C)(C)CC(C)(C)N2C(=O)C=CC2=O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ CDC25B P30305 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ TSHR P16473 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL13301479 0.86 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13301484 0.84 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14069299 0.83 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13301483 0.81 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13301482 0.81 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13301470 0.80 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12431397 0.80 SMN1; SMN2 (0.72) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13808697 0.79 L3MBTL1 (0.58) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13301476 0.78 L3MBTL1 (0.72) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL23571278 0.76 L3MBTL1 (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007060116-A2 KERATIN-BINDING EFFECTOR MOLECULES AND METHOD FOR THE PRODUCTION THEREOF BY COUPLING KERATIN-BINDING POLYPEPTIDES WITH EFFECTOR MOLECULES THAT SUPPORT CARBOXYLIC GROUPS OR SULFONIC ACID GROUPS BASF SE (DE) 2007-05-31 — — WO disclosed
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