SCHEMBL7260448

SCHEMBL7260448

CCCCCCCn1c(COc2ccc(C(=O)O)cc2)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.60
AGTR2 P50052 2/20 0.60
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 1/20 0.54
PIN1 Q13526 2/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53

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
SCHEMBL4725005 0.82 RAB9A (0.75) TP53RAB9ANPC1SMN1; SMN2
SCHEMBL15085468 0.79 TP53 (0.77) MAPTTP53TSHRKMT2AMEN1
SCHEMBL31066866 0.75 TLR8 (0.68) MAPTTP53TSHRKMT2AMEN1
SCHEMBL31066873 0.75 TLR8 (0.68) MAPTTP53TSHRKMT2AMEN1
SCHEMBL9197881 0.75 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL540895 0.74 TP53 (0.65) AGTR1AGTR2MAPTTP53POLB
SCHEMBL28283760 0.74 ALDH1A1 (0.64) MAPTTP53TSHRKMT2AMEN1
SCHEMBL28716632 0.74 LMNA (0.67) AGTR1AGTR2MAPTTP53POLB
SCHEMBL29968953 0.74 LMNA (0.67) AGTR1AGTR2MAPTTP53POLB
SCHEMBL29968482 0.74 LMNA (0.67) AGTR1AGTR2MAPTTP53POLB

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-2003024937-A1 BENZIMIDAZOLYLALKOXYARYL ALKANOIC ACID DERIVATIVES AND THEIR USE AS ANTIHYPERGLYCEMICS MERCK PATENT GMBH (DE) 2003-03-27 WO disclosed