SCHEMBL8046084

SCHEMBL8046084

CCOC(=O)CCCCCC(C#N)(c1ccc2ccccc2n1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PRNP P04156 1/20 0.39
TOP2A P11388 1/20 0.37
TNF P01375 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ELANE P08246 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
FAAH O00519 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 0.86 CYSLTR2 (0.45) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL8045910 0.85 HDAC1 (0.35) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL8052937 0.84 HDAC1 (0.48)
SCHEMBL8047362 0.83 CYSLTR2 (0.46) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL8049575 0.82 CYSLTR2 (0.46) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL8052938 0.80 HDAC1 (0.35) CYSLTR2CYSLTR1KDM4E
SCHEMBL8892532 0.74 OPRM1 (0.42) MEN1KMT2ARAB9ARXFP1KDM4E
SCHEMBL8049892 0.72 OPRM1 (0.48) TOP2AALDH1A1FAAHCYP4F2CYP4A11
SCHEMBL8044856 0.72 OPRM1 (0.48) TOP2AALDH1A1FAAHCYP4F2CYP4A11
SCHEMBL8035390 0.71 L3MBTL1 (0.45) MEN1KMT2ATOP2ANPC1RAB9A

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