SCHEMBL18009292

SCHEMBL18009292

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSK P43235 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ AGTR2 P50052 5/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ACE P12821 1/20 0.35

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
SCHEMBL18009294 0.92 MMP2 (0.46) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18009461 0.91 PIK3CD (0.40) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18007451 0.89 PIK3CD (0.39) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18009300 0.87 PIK3CD (0.42) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18009283 0.87 ALDH1A1 (0.40) PIK3CDTSHRRECQLSMN1; SMN2ALDH1A1
SCHEMBL18007448 0.86 MEN1 (0.38) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18007444 0.84 TSHR (0.41) TSHRRECQLSMN1; SMN2ALDH1A1MAPT
SCHEMBL18009462 0.84 HPGD (0.40) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18007443 0.83 MMP2 (0.36) PIK3CDTSHRRECQLSMN1; SMN2CTSK
SCHEMBL18007449 0.83 PIK3CD (0.36) PIK3CDTSHRRECQLSMN1; SMN2CTSK

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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