SCHEMBL8953763

SCHEMBL8953763

CC(=O)N(C)c1ccc(Sc2cccc(O/N=C\C3CCOCC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.43
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MGLL Q99685 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PIP5K1C O60331 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8953766 1.00 ALOX5 (0.43) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL8953710 0.87 PTGIR (0.35) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL8953684 0.87 MTNR1A (0.34) ALOX5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8953680 0.87 MTNR1A (0.34) ALOX5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8953694 0.81 RAB9A (0.41) ALDH1A1RAB9ANPC1
SCHEMBL8953698 0.81 RAB9A (0.41) ALDH1A1RAB9ANPC1
SCHEMBL8953792 0.80 MTNR1A (0.35) MTNR1AMTNR1BKDM4EALDH1A1RAB9A
SCHEMBL8953733 0.77 ALOX5 (0.35) ALOX5
SCHEMBL8953837 0.77 ALOX5 (0.35) ALOX5
SCHEMBL8953786 0.76 ALOX5 (0.44) ALOX5MGLLPIP5K1CKDM4EALDH1A1

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
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed