SCHEMBL3720117

SCHEMBL3720117

CC(C)COc1ccc(Oc2ccc3cc(CCN)ccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TEC P42680 1/20 0.38
TLR8 Q9NR97 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
XDH P47989 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MEN1 O00255 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
SCN9A Q15858 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
TAAR5 O14804 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL3720725 0.87 ACACB (0.38) LMNATLR8SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3719435 0.86 TLR8 (0.37) LMNATLR8SMN1; SMN2XDHCYP1A2
SCHEMBL3725388 0.86 GLA (0.44) LMNATECTLR8SMN1; SMN2CYP1A2
SCHEMBL3717202 0.85 ACACB (0.38) LMNATECCYP1A2CYP3A4TSHR
SCHEMBL3720293 0.84 GLA (0.42) LMNATECTLR8SMN1; SMN2GLA
SCHEMBL3720365 0.83 MAPT (0.41) LMNATECSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3719990 0.83 LMNA (0.37) LMNATECTLR8XDHNPC1
SCHEMBL3717827 0.83 ALDH1A1 (0.49) LMNATLR8SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3722383 0.82 CYP1A2 (0.35) LMNATECCYP1A2CYP3A4TSHR
SCHEMBL3716750 0.82 CYP1A2 (0.35) LMNATECSMN1; SMN2CYP1A2CYP3A4

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