SCHEMBL6250804

SCHEMBL6250804

O=C1C[C@@H](C(=O)O)[C@@H](C(=O)OCc2ccccc2)O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
ELANE P08246 1/20 0.45
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7484716 1.00 FABP7 (0.46) FABP7FABP5ELANEHPGDCASP1
SCHEMBL8466630 0.81 ELANE (0.49) FABP7FABP5ELANEHPGDCASP1
SCHEMBL2023884 0.81 ELANE (0.45) FABP7FABP5ELANEHPGDCASP1
SCHEMBL6024185 0.81 ELANE (0.45) FABP7FABP5ELANEHPGDCASP1
SCHEMBL26679383 0.81 GAA (0.50) FABP7FABP5ELANEHPGDALDH1A1
SCHEMBL6024964 0.81 ELANE (0.45) FABP7FABP5ELANEHPGDCASP1
SCHEMBL25245808 0.76 ALDH1A1 (0.56) FABP7FABP5ALDH1A1CYP1A2NPC1
SCHEMBL12986806 0.76 ALDH1A1 (0.56) FABP7FABP5ALDH1A1CYP1A2NPC1
SCHEMBL12986807 0.76 ALDH1A1 (0.56) FABP7FABP5ALDH1A1CYP1A2NPC1
SCHEMBL6250133 0.75 ESR1 (0.37) ALDH1A1CYP1A2SMN1; SMN2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856315-B1 PROTEIN-FARNESYLTRANSFERASE INHIBITORS IN COMBINATION WITH HMGCOA-REDUCTASE-INHIBITORS FOR THE TREATMENT OF AIDS BANYU PHARMA CO LTD (JP) 2005-08-24 EP disclosed
US-6083985-A LOVASTATIN, SIMVASTATIN, PRAVASTATIN OR FLUVASTATIN OR DERIVATIVES DECREASES FARNESYL PYROPHOSPHATE IN VIVO; PROTEIN-FARNESYLTRANSFERASE INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0776884-B1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMA CO LTD (JP) 2000-01-05 EP disclosed
EP-0856315-A1 MEDICINAL COMPOSITION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-08-05 EP disclosed
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 EP disclosed
US-5643958-A ANTITUMOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0776884-A1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-06-04 EP disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 WO disclosed