SCHEMBL7807775

SCHEMBL7807775

CC(=O)SCCCCCCc1cccc2c1=NC(=O)N=2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
PPARA Q07869 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 2/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32

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
SCHEMBL20549023 0.78 BID (0.41) BIDMCL1PPARABCL2L1BAK1
SCHEMBL9164495 0.75
SCHEMBL6647064 0.74
SCHEMBL6208851 0.73 GABRA1 (0.36)
SCHEMBL8932159 0.71 TDP1 (0.30)
SCHEMBL3232243 0.70 GABRA1 (0.45)
SCHEMBL8301431 0.70
SCHEMBL14151152 0.67 SLC16A3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10506761 0.65 TAAR1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8203510 0.64

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-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO disclosed