SCHEMBL18009462

SCHEMBL18009462

COCCNC(=O)[C@@H]1C[C@@H](OC(=O)/C=C/C(=O)OC)CN1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ VHL P40337 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL18009292 0.84 PIK3CD (0.41) KMT2ACTSKMMP2PIK3CDTSHR
SCHEMBL18007443 0.83 MMP2 (0.36) KMT2ACTSKMEN1MMP2PIK3CD
SCHEMBL18009294 0.83 MMP2 (0.46) KMT2ACTSKMEN1TLR2TLR1
SCHEMBL18009204 0.83 MMP2 (0.37) HPGDTACR1KMT2AATMKDM4E
SCHEMBL18009461 0.82 PIK3CD (0.40) KMT2ACTSKMEN1MMP2PIK3CD
SCHEMBL18009283 0.81 ALDH1A1 (0.40) KMT2AMEN1MMP2PIK3CDTSHR
SCHEMBL18007440 0.81 ATM (0.33) HPGDTACR1KMT2AATMKDM4E
SCHEMBL18007451 0.81 PIK3CD (0.39) KMT2ACTSKMEN1MMP2PIK3CD
SCHEMBL18007448 0.80 MEN1 (0.38) HPGDKMT2ACTSKKDM4EMEN1
SCHEMBL18009300 0.79 PIK3CD (0.42) KMT2ACTSKMEN1MMP2PIK3CD

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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