SCHEMBL18009294

SCHEMBL18009294

COC(=O)/C=C/C(=O)O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ANPEP P15144 3/20 0.38
▸ CTSK P43235 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 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
SCHEMBL18009292 0.92 PIK3CD (0.41) MMP2KMT2APIK3CDTSHRRECQL
SCHEMBL18009283 0.90 ALDH1A1 (0.40) MMP2KMT2AMEN1PIK3CDTSHR
SCHEMBL18009300 0.90 PIK3CD (0.42) MMP2KMT2AMEN1PIK3CDTSHR
SCHEMBL18009461 0.90 PIK3CD (0.40) MMP2KMT2AMEN1PIK3CDTSHR
SCHEMBL18007451 0.88 PIK3CD (0.39) MMP2KMT2AMEN1PIK3CDTSHR
SCHEMBL18007448 0.85 MEN1 (0.38) KMT2AMEN1PIK3CDTSHRRECQL
SCHEMBL18009462 0.83 HPGD (0.40) MMP2KMT2AMEN1PIK3CDTSHR
SCHEMBL18007444 0.83 TSHR (0.41) KMT2AMEN1TSHRRECQLSMN1; SMN2
SCHEMBL18009297 0.83 MAPT (0.40) KMT2AMEN1PIK3CDSMN1; SMN2ALDH1A1
SCHEMBL18009302 0.83 PIK3CD (0.44) MMP2PIK3CDTSHRRECQLSMN1; SMN2

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-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 — — WO disclosed
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