SCHEMBL9700576

SCHEMBL9700576

C=CCOC(=O)Oc1ccc(C=C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
SNCA P37840 1/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 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
SCHEMBL10870487 0.91 CYP3A4 (0.50) CYP3A4SNCAAPPALDH1A1HSD17B10
SCHEMBL6153149 0.90 SNCA (0.51) CYP3A4SNCAAPPALDH1A1HSD17B10
SCHEMBL9816881 0.88 KMT2A (0.51) CYP3A4SNCAAPPALDH1A1HSD17B10
SCHEMBL6152948 0.86 CYP3A4 (0.46) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL9717273 0.84 ALDH1A1 (0.48) CYP3A4APPALDH1A1HSD17B10TSHR
SCHEMBL2791741 0.83 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRKMT2AMAPT
SCHEMBL10820448 0.83 TTR (0.56) CYP3A4SNCAAPPKMT2AMAPT
SCHEMBL6272758 0.83 KMT2A (0.53) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6151946 0.83 ELANE (0.46) CYP3A4SNCAAPPALDH1A1HSD17B10
SCHEMBL9174753 0.83 CYP3A4 (0.43) CYP3A4ALDH1A1HSD17B10TSHRKMT2A

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
EP-0516426-A1 Resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-12-02 EP disclosed