SCHEMBL9639788

SCHEMBL9639788

CC[C@H](C)CN(C)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP4A11 Q02928 2/20 0.44
RAB9A P51151 2/20 0.44
CYP4F2 P78329 1/20 0.43
STAT3 P40763 1/20 0.43
MAPT P10636 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL23374683 0.87 LOXL2 (0.51) LOXL2HSP90AA1KDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL9638792 0.82 MAPT (0.48) HSP90AA1KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL23423391 0.82 LOXL2 (0.56) LOXL2KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9640109 0.79 GAA (0.48) LOXL2KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL10397101 0.79 HDAC1 (0.66) LOXL2HSP90AA1KDM4EALDH1A1NPC1
SCHEMBL13543623 0.79 LOXL2 (0.56) LOXL2KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL13052122 0.77 ACHE (0.66) LOXL2KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL5067508 0.76 LOXL2 (0.61) LOXL2HSP90AA1KDM4EALDH1A1NPC1
SCHEMBL5776546 0.76 CYP4A11 (0.57) LOXL2KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL8781971 0.75 LOXL2 (0.59) LOXL2HSP90AA1KDM4EALDH1A1NPC1

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-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 US disclosed