SCHEMBL3726751

SCHEMBL3726751

CCCOc1ccc(Oc2ccc3cc(CCNC(=O)OC)ccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LTA4H P09960 2/20 0.47
PLA2G2A P14555 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
CES2 O00748 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL3716760 0.91 KMT2A (0.55) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3722470 0.90 MAPT (0.51) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3727563 0.82 ACACB (0.50) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3723896 0.82 GLA (0.59) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3726818 0.79 ACACB (0.64) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3726437 0.78 ACACB (0.65) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3721222 0.78 CES2 (0.50) ACACBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3723856 0.77 LTA4H (0.49) SMN1; SMN2LTA4HPLA2G2AGLALMNA
SCHEMBL3240006 0.76 CES2 (0.66) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL3724136 0.76 ACACB (0.57) ACACBMAPTSMN1; SMN2NPC1RAB9A

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed