SCHEMBL11499161

SCHEMBL11499161

O=C(O)[C@H](Cc1c[nH]cn1)NCCCCCS

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.40
CPB1 P15086 1/20 0.38
HDAC3 O15379 9/20 0.34
HDAC4 P56524 9/20 0.34
HDAC1 Q13547 9/20 0.34
HDAC7 Q8WUI4 9/20 0.34
HDAC2 Q92769 9/20 0.34
HDAC10 Q969S8 9/20 0.34
HDAC11 Q96DB2 9/20 0.34
HDAC8 Q9BY41 9/20 0.34
HDAC6 Q9UBN7 9/20 0.34
HDAC9 Q9UKV0 9/20 0.34
HDAC5 Q9UQL6 9/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19138219 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL29503862 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL1079150 0.87 CPB2 (0.47) CPB2CPB1
SCHEMBL19138220 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL30978072 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL1667030 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL38650912 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL1667027 0.87 CPB2 (0.51) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL28031776 0.86 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL28032329 0.86 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4233310-A Antiarteriosclerotic N-(mercaptoacyl)-histidines SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-11-11 US claimed
US-4233310-A Antiarteriosclerotic N-(mercaptoacyl)-histidines SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-11-11 US disclosed
US-4233310-A Antiarteriosclerotic N-(mercaptoacyl)-histidines SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-11-11 US disclosed
US-4233310-A Antiarteriosclerotic N-(mercaptoacyl)-histidines SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-11-11 US disclosed