SCHEMBL28570413

SCHEMBL28570413

CCCC(=O)Oc1ccc2c(c1)OC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.38
KDM1A O60341 1/20 0.38
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL28558890 0.82 KDM1A (0.39) HIF1AKDM4EALDH1A1GLAGAA
SCHEMBL28561273 0.82 GAA (0.42) HIF1AKDM4EALDH1A1GLAGAA
SCHEMBL28556843 0.82 GAA (0.42) HIF1AKDM4EALDH1A1GLAGAA
SCHEMBL28553773 0.81 KDM1A (0.38) HIF1AKDM4EALDH1A1GLAGAA
SCHEMBL28558386 0.78 KMT2A (0.43) HIF1AKDM4EALDH1A1GLAGAA
SCHEMBL27474162 0.70 PPARG (0.56) HIF1AKDM4EALDH1A1GLAGAA
SCHEMBL28680453 0.70 KMT2A (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15447319 0.68 ELANE (0.43) HIF1AKDM1A
SCHEMBL8282265 0.67 MAPT (0.58) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL28518145 0.67 KMT2A (0.49) KDM4EALDH1A1GLAGAAMAPT

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-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 CN disclosed