SCHEMBL2663263

SCHEMBL2663263

COc1cccc2cc(C(C)N(C)OC)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO1 P15559 1/20 0.39
CYP2D6 P10635 1/20 0.38
TUBB3 Q13509 4/20 0.38
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36

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
SCHEMBL487736 0.81 HDAC4 (0.54) EGFRPDGFRBKDRKDM4EALDH1A1
SCHEMBL11736622 0.75 ALDH1A1 (0.43) EGFRPDGFRBKDRKDM4EALDH1A1
SCHEMBL259779 0.73 AKR1B1 (0.59) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13038659 0.73 AKR1B1 (0.59) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18540795 0.73 PDGFRB (0.51) EGFRPDGFRBKDRKDM4EALDH1A1
SCHEMBL13800097 0.71 KDM4E (0.40) EGFRPDGFRBKDRKDM4EALDH1A1
SCHEMBL17528551 0.71 PDGFRB (0.56) EGFRPDGFRBKDRKDM4EALDH1A1
SCHEMBL8393507 0.69 NQO1 (0.67) PDGFRBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29919905 0.69 NQO1 (0.67) PDGFRBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15772680 0.69 NQO1 (0.47) KDRKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed