SCHEMBL28205272

SCHEMBL28205272

CC(=O)C(c1ccc([C]=O)cc1)c1ccc([C@H](C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ACACB O00763 11/20 0.33
FFAR1 O14842 1/20 0.33
PTPN5 P54829 1/20 0.32
UGT2B7 P16662 1/20 0.32
PGR P06401 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.31
CYP2C9 P11712 2/20 0.30

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
SCHEMBL28205269 1.00 NOS3 (0.37) NOS3NOS1ACACBFFAR1PTPN5
SCHEMBL28205268 1.00 NOS3 (0.37) NOS3NOS1ACACBFFAR1PTPN5
SCHEMBL9340095 0.87 NOS3 (0.41) NOS3NOS1ACACBFFAR1PTPN5
SCHEMBL28148769 0.81 CYP3A4 (0.34) ACACBFFAR1
SCHEMBL28205264 0.81 CYP3A4 (0.34) ACACBFFAR1
SCHEMBL28148773 0.81 CYP3A4 (0.34) ACACBFFAR1
SCHEMBL28039510 0.81 FFAR1 (0.43) NOS3NOS1ACACBFFAR1
SCHEMBL28039509 0.81 FFAR1 (0.43) NOS3NOS1ACACBFFAR1
SCHEMBL28039760 0.81 FFAR1 (0.43) NOS3NOS1ACACBFFAR1
SCHEMBL28205844 0.80 ACACB (0.31) ACACBALDH1A1

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
CN-105073710-B Novel hydroxamic acid derivative or salt thereof 富山化学工业株式会社 2018-02-16 CN disclosed