SCHEMBL9004170

SCHEMBL9004170

CC(C)CCC(/C=C/c1ccc(Cl)cc1)=N\OCCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
EPHX2 P34913 4/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9004074 0.91 HRH3 (0.41) HRH3KMT2A
SCHEMBL9004099 0.90 HRH3 (0.43) HRH3KMT2A
SCHEMBL9412241 0.90 HRH3 (0.43) HRH3KMT2A
SCHEMBL9004176 0.84 CHRM1 (0.39) HRH3
SCHEMBL9004061 0.80 HRH3 (0.43) LMNASMN1; SMN2HRH3KMT2A
SCHEMBL9004150 0.80 SIGMAR1 (0.43) KEAP1NFE2L2NPC1RAB9AALDH1A1
SCHEMBL9004144 0.79 UTS2R (0.39) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9004060 0.78 HRH3 (0.44) HRH3KMT2A
SCHEMBL9004145 0.77 CYP3A4 (0.42) LMNASMN1; SMN2HRH3KMT2A
SCHEMBL9412273 0.76 HTR2A (0.43) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed