SCHEMBL7254234

SCHEMBL7254234

CCOc1cc(Cc2nc3ccccc3n2Cc2ccccc2)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 7/20 0.62
▸ AGTR2 P50052 7/20 0.62
▸ CNR1 P21554 1/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ PPARG P37231 6/20 0.53
▸ DRD2 P14416 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7260911 0.87 TP53 (0.61) AGTR1AGTR2CNR1CNR2TP53
SCHEMBL7256425 0.78 MAPT (0.52) AGTR1AGTR2CNR1CNR2TP53
SCHEMBL7257420 0.77 MAPT (0.60) AGTR1AGTR2LMNATP53SMN1; SMN2
SCHEMBL15685952 0.74 LMNA (1.00) LMNATP53SMN1; SMN2MEN1KMT2A
SCHEMBL15568225 0.74 LMNA (0.76) CNR2LMNATP53SMN1; SMN2MEN1
SCHEMBL228889 0.73 LMNA (0.90) LMNATP53SMN1; SMN2MEN1KMT2A
SCHEMBL8320573 0.73 TP53 (0.60) AGTR1AGTR2CNR1CNR2LMNA
SCHEMBL17380973 0.72 POLB (0.58) AGTR1AGTR2LMNATP53SMN1; SMN2
SCHEMBL8393405 0.71 PPARG (0.84) AGTR1AGTR2PPARG
SCHEMBL541192 0.71 MAPK1 (0.50) AGTR1AGTR2LMNATP53SMN1; SMN2

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-2003011835-A1 BENZIMIDAZOLYLALKYL-ARYL(ALKAN) OIC ACID DERIVATIVES AND THEIR USE AS ANTIHYPERGLYCAEMICS MERCK PATENT GMBH (DE) 2003-02-13 — — WO disclosed
Send feedback