SCHEMBL6770034

SCHEMBL6770034

COC(C)(C)ONC(=O)CC[C@H](O)CCc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.40
EPHX2 P34913 1/20 0.39
AOC3 Q16853 1/20 0.39
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL6138879 0.86 AVPR1B (0.38) AVPR1BEPHX2AOC3
SCHEMBL6138755 0.77 AOC3 (0.42) AOC3
SCHEMBL6138355 0.74 HRH3 (0.47)
SCHEMBL6777188 0.73 MMP12 (0.57)
SCHEMBL6138498 0.68 HDAC1 (0.45) EPHX2
SCHEMBL6138887 0.68 HDAC1 (0.45) EPHX2
SCHEMBL6138750 0.67 THRB (0.57)
Hydrochloric Acid SCHEMBL6138891 0.67 HDAC1 (0.45) EPHX2
Hydrochloric Acid SCHEMBL6138898 0.67 HDAC1 (0.45) EPHX2
SCHEMBL65840 0.67 SMN1; SMN2 (0.62)

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
US-6770644-B1 Hydroxamic acid derivatives, process for the production thereof and drug containing the same as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-08-03 US disclosed