SCHEMBL10906193

SCHEMBL10906193

CN(C)N(CCCC(=O)O)C(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ KDM4A O75164 3/20 0.48
▸ KDM4C Q9H3R0 3/20 0.48
▸ ATM Q13315 1/20 0.47
▸ KDM5A P29375 1/20 0.47

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
SCHEMBL10903602 0.79 HDAC3 (0.47) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1231956 0.75 MAPT (0.56) ALOX5HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10905465 0.75 LTA4H (0.50) ATMMAPT
SCHEMBL2676817 0.75 KDM4A (0.67) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL10906612 0.74 HDAC6 (0.50) HDAC3MAPK1ADRA1AHDAC4SLC6A3
Hydrochloric Acid SCHEMBL8891865 0.73 KDM4A (0.68) SMN1; SMN2KDM4AKDM4C
SCHEMBL15477428 0.73 CES2 (0.52) ALOX5HDAC8HDAC6AKR1B1LTB4R
SCHEMBL339507 0.73 CES2 (0.56) ALOX5HDAC8HDAC6AKR1B1LTB4R
Adipic Acid SCHEMBL5506667 0.73 AKR1B1 (0.77) HDAC3MAPK1ADRA1AHDAC4SLC6A3
Hydrochloric Acid SCHEMBL9554752 0.72 SIGMAR1 (0.62) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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