SCHEMBL12475741

SCHEMBL12475741

CCOc1ccc(CCNC(C)=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.86
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 1/20 0.68
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 1/20 0.62
F13A1 P00488 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
LMNA P02545 2/20 0.56
MTNR1A P48039 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL12001427 0.95 ACACB (0.79) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL255805 0.93 ACACB (1.00) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL4519919 0.87 MAPT (0.67) ACACBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9259281 0.85 ACACB (0.65) ACACBSMN1; SMN2ALDH1A1KDM4EF13A1
SCHEMBL3726818 0.85 ACACB (0.64) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL256313 0.84 ACACB (0.66) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL10592850 0.84 KDM4E (0.84) ACACBSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL12001375 0.83 ACACB (0.80) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL659053 0.83 SMN1; SMN2 (1.00) ACACBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5726654 0.83 ACACB (0.67) ACACBSMN1; SMN2ALDH1A1NPC1MAPT

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-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed