SCHEMBL3720293

SCHEMBL3720293

CCCOc1ccc(Oc2ccc3cc(CCN)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NCF1 P14598 1/20 0.39
TLR8 Q9NR97 1/20 0.39
LTA4H P09960 1/20 0.38
DHFR P00374 1/20 0.38
TEC P42680 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
ACACB O00763 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3717827 0.89 ALDH1A1 (0.49) GLASMN1; SMN2LMNATLR8ALDH1A1
SCHEMBL3720646 0.87 GLA (0.43) GLASMN1; SMN2NCF1TLR8HTR1A
SCHEMBL3721858 0.87 GLA (0.43) GLASMN1; SMN2LMNATLR8
SCHEMBL3717279 0.87 GLA (0.57) GLASMN1; SMN2TLR8TECALDH1A1
SCHEMBL3718574 0.86 GLA (0.53) GLASMN1; SMN2NCF1TLR8TEC
SCHEMBL3722047 0.86 GLA (0.42) GLASMN1; SMN2LMNANCF1TLR8
SCHEMBL3720365 0.84 MAPT (0.41) SMN1; SMN2LMNATECALDH1A1RAB9A
SCHEMBL3720117 0.84 LMNA (0.39) GLASMN1; SMN2LMNATLR8TEC
SCHEMBL3723856 0.83 LTA4H (0.49) GLASMN1; SMN2LMNAHTTHSD17B10
SCHEMBL3717388 0.83 ACACB (0.40) LMNAHTTHSD17B10NCF1TLR8

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