SCHEMBL9607430

SCHEMBL9607430

CCC(=O)c1ccc(Cc2cccc(O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MGLL Q99685 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 1/20 0.42
PLA2G10 O15496 1/20 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
SCHEMBL9607483 0.83 SMN1; SMN2 (0.66) SMN1; SMN2MAPTLMNAL3MBTL1RAB9A
SCHEMBL5630152 0.82 KMT2A (0.60) SMN1; SMN2MAPTLMNAL3MBTL1RAB9A
SCHEMBL9607150 0.80 MTNR1A (0.59) LMNARAB9AHDAC1KMT2ANPC1
SCHEMBL14566276 0.80 ALDH1A1 (0.50) SMN1; SMN2MAPTLMNARAB9AALDH1A1
SCHEMBL8580572 0.79 PRSS1 (0.46) SMN1; SMN2MAPTLMNAL3MBTL1RAB9A
SCHEMBL18466196 0.79 ENPP2 (0.50) MAPTLMNAKMT2AENPP2
SCHEMBL15071849 0.77 ALDH1A1 (0.57) SMN1; SMN2MAPTLMNAL3MBTL1RAB9A
SCHEMBL79656 0.77 CA12 (0.57) SMN1; SMN2MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL921375 0.77 ESR1 (0.64) MAPTLMNAALDH1A1KMT2AHSD17B1
SCHEMBL70267 0.76 ENPP2 (0.65) MAPTLMNAALDH1A1KMT2AENPP2

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed