SCHEMBL8953796

SCHEMBL8953796

CN(C)C(=O)N(C)Cc1ccc(COc2cccc(C(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
MAOB P27338 6/20 0.44
F10 P00742 1/20 0.43
MAOA P21397 2/20 0.43
NR4A2 P43354 4/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
GAA P10253 1/20 0.41
SMPD1 P17405 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL8953863 0.83 ALDH1A1 (0.45) KMT2AALDH1A1RAB9AKDM2BMAOB
SCHEMBL8953864 0.82 MAOB (0.47) KMT2AALDH1A1RAB9AKDM2BMAOB
SCHEMBL9308093 0.78 MRGPRX4 (0.51) ALDH1A1KDM2BMAOBNR4A2
SCHEMBL8953753 0.74 L3MBTL1 (0.44) KMT2AALDH1A1RAB9AKDM2B
SCHEMBL22717033 0.73 NR4A2 (0.70) KMT2AALDH1A1KDM2BMAOBNR4A2
SCHEMBL8953777 0.73 MAOB (0.43) KMT2AALDH1A1RAB9AKDM2BMAOB
SCHEMBL8953702 0.73 MAOB (0.43) KMT2AALDH1A1RAB9AKDM2BMAOB
SCHEMBL9307254 0.73 ALOX5 (0.64) ALDH1A1KDM2B
SCHEMBL21051406 0.70 NR4A1 (0.57) KMT2AALDH1A1MAOBNR4A2NR4A1
SCHEMBL8953781 0.70 ALDH1A1 (0.43) KMT2AALDH1A1KDM2B

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