SCHEMBL3720645

SCHEMBL3720645

CCCOc1ccc(Oc2ccc3cc(NCC)ccc3n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.36
NCF1 P14598 4/20 0.36
FFAR1 O14842 1/20 0.35
TLR8 Q9NR97 1/20 0.35
DHFR P00374 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NPY1R P25929 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
SCHEMBL3724195 0.91 MCHR1 (0.40) MAPTTLR8ALDH1A1KDM4E
SCHEMBL3718572 0.88 PNLIP (0.40) MAPTLMNAMAPK1HIF1ANCF1
SCHEMBL3722045 0.88 MAPT (0.38) MAPTLMNAMAPK1HIF1ANCF1
SCHEMBL3720723 0.87 MAPT (0.44) MAPTTLR8MAP4K4ALDH1A1ACACB
SCHEMBL3720292 0.86 MAPT (0.41) MAPTLMNAMAPK1HIF1ANCF1
SCHEMBL3720739 0.85 MAPT (0.39) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL3717667 0.84 MAPT (0.34) MAPTMAP4K4ALDH1A1POLB
SCHEMBL3720648 0.84 MAPT (0.36) MAPTGPBAR1CYSLTR1ALDH1A1
SCHEMBL3722566 0.83 SCN7A (0.48) MAP4K4
SCHEMBL3720550 0.83 SCN7A (0.48) MAP4K4

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