SCHEMBL7485681

SCHEMBL7485681

COCCOc1cc2oc(=O)cc(C)c2cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.50
ALDH1A1 P00352 8/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 4/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
ALPG P10696 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 1/20 0.47
HTT P42858 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
GFER P55789 1/20 0.46
POLB P06746 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
SCHEMBL7493192 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7485171 0.84 RAB9A (0.47) KDM4EALDH1A1HPGDHSD17B10HSP90AA1
SCHEMBL8199613 0.78 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31262945 0.78 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL19000918 0.74 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL9229347 0.73 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL4263170 0.73 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8194988 0.72 MAOB (0.47) KDM4EALDH1A1HPGDHSD17B10HSP90AA1
SCHEMBL24437729 0.72 POLB (0.65) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8808189 0.71 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GLA

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-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed