SCHEMBL8049575

SCHEMBL8049575

CCOC(=O)CCCCCC(C#N)(c1ccc(OC)cc1)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
AHR P35869 1/20 0.42
PRNP P04156 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TOP2A P11388 1/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 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
SCHEMBL8044839 0.92 CYSLTR2 (0.45) CYSLTR2CYSLTR1PRNPMEN1KMT2A
SCHEMBL8047362 0.91 CYSLTR2 (0.46) CYSLTR2CYSLTR1PRNPMEN1KMT2A
SCHEMBL8045031 0.86 MMP3 (0.45) AHRPRNPALDH1A1
SCHEMBL8052660 0.86 PPARG (0.43) CYSLTR2CYSLTR1PPARGALDH1A1KDM4E
SCHEMBL8047275 0.85 AHR (0.39) AHRPRNPMEN1KMT2AALDH1A1
SCHEMBL8045896 0.84 CCR1 (0.41) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL8046467 0.84 CCR1 (0.41) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL8046084 0.82 CYSLTR2 (0.42) CYSLTR2CYSLTR1PRNPMEN1KMT2A
SCHEMBL8035061 0.81 AHR (0.39) CYSLTR2CYSLTR1AHRPRNPMEN1
SCHEMBL8049892 0.77 OPRM1 (0.48) ALDH1A1TOP2ASMN1; SMN2CCR1FAAH

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-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed