SCHEMBL27899013

SCHEMBL27899013

Cc1cccc(COc2cccc3c2CN(C(CC(C)C(=O)O)C(N)=O)C3=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ LMNA P02545 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ PKM P14618 2/20 0.41
▸ SLC1A5 Q15758 1/20 0.41
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ CRBN Q96SW2 1/20 0.37
▸ IKZF3 Q9UKT9 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL27899074 0.90 SLC1A5 (0.40) SMN1; SMN2MAPTSLC1A5PTGER1PTGER4
SCHEMBL27899007 0.86 HTT (0.40) SMN1; SMN2LMNAMAPTPKMPTGER1
SCHEMBL27899276 0.84 HTT (0.38) SMN1; SMN2LMNAMAPTPTGER1PTGER4
SCHEMBL2253220 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTPKMSLC1A5
SCHEMBL27899070 0.83 CRBN (0.44) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL27881791 0.82 CRBN (0.51) SMN1; SMN2LMNAHTTCRBNIKZF3
SCHEMBL28802083 0.81 CRBN (0.53) SMN1; SMN2LMNAHTTCRBNIKZF3
SCHEMBL27899016 0.81 CRBN (0.48) CRBNIKZF3
SCHEMBL27899082 0.81 CRBN (0.48) SMN1; SMN2LMNAHTTCRBNIKZF3
SCHEMBL27899081 0.81 CRBN (0.44) SMN1; SMN2LMNAHTTMEN1KMT2A

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
CN-102822165-A Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORP 2012-12-12 — — CN disclosed
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