SCHEMBL20734814

SCHEMBL20734814

COc1ccc(CC2NC(=O)C=C2OCc2ccc(OC=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 6/20 0.37
PTPN1 P18031 2/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL20734910 0.87 MMP1 (0.48) NPC1RAB9ATDP1MMP1MMP3
SCHEMBL20734861 0.86 FFAR1 (0.44) APPGLANPSR1ALDH1A1MAPT
SCHEMBL20734860 0.86 FFAR1 (0.44) APPGLANPSR1ALDH1A1MAPT
SCHEMBL24333180 0.83 HTT (0.41) NPC1RAB9AAPPGLANPSR1
SCHEMBL20734813 0.83 ALDH1A1 (0.41) NPC1RAB9AAPPMMP1MMP3
SCHEMBL20734875 0.83 ALDH1A1 (0.41) NPC1RAB9AAPPMMP1MMP3
SCHEMBL20735109 0.81 HTT (0.33) HPGDHTTMEN1KMT2AKDM4C
SCHEMBL20734917 0.76 AKR1B1 (0.42) HPGDTDP1PTPN1MMP1MMP3
SCHEMBL21929341 0.75 MAOB (0.48) NPC1RAB9AMMP1MMP3MMP9
SCHEMBL24333352 0.75 GLA (0.34) GLANPSR1MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019029273-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京卓凯生物技术有限公司 2019-02-14 WO disclosed
WO-2019029274-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR 北京卓凯生物技术有限公司 2019-02-14 WO disclosed