SCHEMBL3948792

SCHEMBL3948792

N#Cc1cccc(COC(=O)CC(=O)CCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
CYP3A4 P08684 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CALM1 P0DP23 2/20 0.46
TRPA1 O75762 1/20 0.43
MCHR1 Q99705 1/20 0.43
CTSL P07711 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL3948704 0.86 CYP3A4 (0.44) FAAHMGLLCYP3A4TRPM8ALDH1A1
SCHEMBL3951209 0.85 CYP3A4 (0.51) FAAHMGLLCYP3A4CALM1TRPA1
SCHEMBL3941640 0.85 NPC1 (0.53) FAAHMGLLCYP3A4CALM1ALDH1A1
SCHEMBL3939955 0.83 CYP3A4 (0.47) FAAHMGLLCYP3A4TRPA1TRPM8
SCHEMBL3947205 0.79 FFAR1 (0.58) CYP3A4FFAR1FFAR4ALDH1A1MAPT
SCHEMBL3941686 0.79 RAB9A (0.52) FFAR1FFAR4MCHR1MAPTNPC1
SCHEMBL3951977 0.78 FFAR1 (0.46) FFAR1FFAR4HDAC6
SCHEMBL3950320 0.77 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL29067208 0.76 CYP3A4 (0.74) FAAHMGLLCYP3A4ALDH1A1MAPT
SCHEMBL3943298 0.76 FFAR1 (0.43) CYP3A4FFAR1FFAR4ALDH1A1TSHR

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed