SCHEMBL6250133

SCHEMBL6250133

O=C1CC(C(=O)O)C(C(=O)OC(c2ccccc2)c2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL8057071 0.78 ALDH1A1 (0.34) ALDH1A1TSHRUSP2HSD17B10LMNA
SCHEMBL7484716 0.75 FABP7 (0.46) GAAALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL6250804 0.75 FABP7 (0.46) GAAALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL7904533 0.72 USP2 (0.38) GAAALDH1A1KMT2ATSHRUSP2
SCHEMBL7907083 0.72 USP2 (0.38) GAAALDH1A1KMT2ATSHRUSP2
SCHEMBL14867340 0.71 SMN1; SMN2 (0.37) GAAALDH1A1TSHRUSP2KDM4E
SCHEMBL6252053 0.71 SMN1; SMN2 (0.37) GAAALDH1A1TSHRUSP2KDM4E
SCHEMBL2807289 0.71 SMN1; SMN2 (0.37) GAAALDH1A1TSHRUSP2KDM4E
SCHEMBL19788605 0.71 SMN1; SMN2 (0.37) GAAALDH1A1TSHRUSP2KDM4E
SCHEMBL8183533 0.71 SMN1; SMN2 (0.37) GAAALDH1A1TSHRUSP2KDM4E

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