SCHEMBL7849073

SCHEMBL7849073

COC(=O)CCNC(=O)c1ccc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.49

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
SCHEMBL13222147 0.86 KDM4E (0.54) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL13042362 0.83 HDAC3 (0.57) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9039448 0.81 TSHR (0.61) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6343179 0.80 KDM4E (0.56) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9039712 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4658952 0.80 KDM4E (0.59) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL17273989 0.78 HDAC3 (0.52) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL2781925 0.78 KDM4E (0.61) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4591341 0.78 HDAC3 (0.58) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL4591337 0.78 HDAC3 (0.58) HDAC3HDAC1HDAC4HDAC7HDAC2

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
CN-1274692-C Total synthesizing meethod for pyrrole heterocyclic alkaloid aldisin UNIV JINAN (CN) 2006-09-13 — — CN disclosed
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 — — EP disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 — — US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 — — EP disclosed
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