SCHEMBL6669751

SCHEMBL6669751

Cc1ccccc1-c1[nH]c2ccccc2c1CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
GAA P10253 3/20 0.68
ALDH1A1 P00352 3/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
EGFR P00533 4/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRC P12931 1/20 0.44

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
SCHEMBL6824403 0.82 KDM4E (0.59) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL29612371 0.81 KDM4E (1.00) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL379103 0.81 KDM4E (1.00) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL2884268 0.80 GAA (0.46) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL2884271 0.80 GAA (0.46) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL8167639 0.80 MAPT (0.53) KDM4EMAPTGAAALDH1A1CASP1
Hydrochloric Acid SCHEMBL1372439 0.80 KDM4E (0.97) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL5211637 0.79 ALDH1A1 (0.68) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL15175557 0.78 KDM4E (0.54) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11216214 0.77 KDM4E (0.54) KDM4EMAPTGAAALDH1A1CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO disclosed