SCHEMBL28066970

SCHEMBL28066970

CCCCCCCCC(C(=O)OC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 1/20 0.50
ZDHHC7 Q9NXF8 1/20 0.50
ASAH1 Q13510 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ACER2 Q5QJU3 1/20 0.49
NAAA Q02083 2/20 0.49
LMNA P02545 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
POLB P06746 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL29266760 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AZDHHC7
SCHEMBL8662109 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AZDHHC7
SCHEMBL12924885 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AZDHHC7
SCHEMBL2288351 0.94 KMT2A (0.53) NPC1RAB9ASMN1; SMN2KMT2AASAH1
SCHEMBL29024338 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ZDHHC7ASAH1
SCHEMBL11578611 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ASAH1ALDH1A1
SCHEMBL14062067 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ASAH1ALDH1A1
SCHEMBL4886826 0.88 MMP8 (0.48) NPC1RAB9ASMN1; SMN2ASAH1ALDH1A1
SCHEMBL28066882 0.88 MMP8 (0.48) NPC1RAB9ASMN1; SMN2ASAH1ALDH1A1
SCHEMBL8818975 0.88 MMP8 (0.48) NPC1RAB9ASMN1; SMN2ASAH1ALDH1A1

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
CN-103772536-B A kind of catalytic component for vinyl polymerization or combined polymerization and catalyst thereof SINOPEC CORP. (CN) 2016-05-25 CN disclosed