SCHEMBL468873

SCHEMBL468873

COCCN(C)c1ncc([AsH]c2ccc(C)cc2C(=O)O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
JAK2 O60674 1/20 0.34
PIK3CD O00329 1/20 0.33
DHODH Q02127 3/20 0.33
MAPK1 P28482 1/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CSNK2A1 P68400 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PLK1 P53350 2/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL468497 0.78 DHODH (0.55) DHODH
SCHEMBL2844577 0.68 DHODH (0.61) DHODH
SCHEMBL12983459 0.65 PIK3CD (0.39) DGAT1PIK3CDMAPK1CRHR1EGLN1
SCHEMBL3844536 0.64 HCAR3 (0.40) DGAT1MAPK1KDM4EALDH1A1EGLN1
SCHEMBL1505121 0.62 KDM4E (0.52) KDM4EALDH1A1CSNK2A1
SCHEMBL20251356 0.61 MEN1 (0.44) MAPK1KDM4EALDH1A1
SCHEMBL3984301 0.61 KDM4C (0.42) KDM4EALDH1A1GAAGPBAR1
SCHEMBL15966077 0.61 GRM4 (0.43) PIK3CDALDH1A1PKM
SCHEMBL16994788 0.60 HTT (0.51) CRHR1GAA
SCHEMBL17075550 0.60 KDM4E (0.56) DGAT1PIK3CDMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389197-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall S.A. (ES) 2011-11-30 EP claimed
US-20110253957-A1 Compliant motion distribution system FLEXSYS, INC. 2011-10-20 US claimed
WO-2010083975-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-07-29 WO claimed