SCHEMBL7563166

SCHEMBL7563166

COC(=O)c1ccc(CC#N)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 4/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 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
SCHEMBL197734 0.87 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL13163936 0.87 ALDH1A1 (0.71) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL11446718 0.87 ALDH1A1 (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL6705904 0.87 NPC1 (0.48) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL6707807 0.86 ALDH1A1 (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL9786033 0.86 HPGD (0.51) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL12483495 0.86 ALDH1A1 (0.49) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3933739 0.86 HPGD (0.49) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2549128 0.86 ALDH1A1 (0.49) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL20104424 0.81 ALDH1A1 (0.41) KDM4EALDH1A1GAAHSD17B10HPGD

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-0882703-B1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-08-14 EP disclosed
US-6011174-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENT ANTITUMOR ACTIVITIES, BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0882703-A1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed