SCHEMBL8925568

SCHEMBL8925568

CCOC(=O)CCc1cc(O)cc(CCc2cc3cc(C#N)ccc3s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
USP14 P54578 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK1 P49759 2/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7388021 0.84 KDM4E (0.39) CYP4F2CYP4A11USP14KDM4EALDH1A1
SCHEMBL7390840 0.80 KDM4E (0.35) CYP4F2CYP4A11USP14KDM4EALDH1A1
SCHEMBL7382020 0.79 CLK1 (0.40) CYP4F2CYP4A11USP14KDM4EALDH1A1
SCHEMBL7392676 0.78 STING1 (0.37) CYP4F2CYP4A11USP14KDM4EALDH1A1
SCHEMBL3913357 0.77 KDM4E (0.47) CYP4F2CYP4A11KDM4EALDH1A1GLA
SCHEMBL8925572 0.76 FFAR1 (0.34) KDM4EGAACLK1DYRK1ADYRK1B
SCHEMBL4506493 0.71 CYP4F2 (0.66) CYP4F2CYP4A11USP14ALDH1A1HSD17B10
SCHEMBL490704 0.71 CYP4F2 (0.59) CYP4F2CYP4A11KDM4EALDH1A1GLA
SCHEMBL7385021 0.70 PTPN2 (0.46) KDM4EALDH1A1GAAHPGDCLK1
SCHEMBL9743497 0.69 CYP4F2 (0.49) CYP4F2CYP4A11KDM4EALDH1A1GLA

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-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed