SCHEMBL7994063

SCHEMBL7994063

COC(=O)c1ccc2c(c1SC)OCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.37
LTB4R2 Q9NPC1 4/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 2/20 0.37
GRM5 P41594 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 4/20 0.35
MITF O75030 1/20 0.35
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.33
ABL1 P00519 1/20 0.33
CFTR P13569 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
SCHEMBL7997430 0.85 LTB4R (0.39) LTB4RLTB4R2ALDH1A1KDM4EHSD17B10
SCHEMBL19973891 0.78 PARP1 (0.47) ALDH1A1KDM4EHSD17B10LMNAGRM5
SCHEMBL7619014 0.74 CA12 (0.33) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL6848305 0.73 KDM4E (0.56) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5956896 0.73 TSHR (0.37) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5956540 0.73 TSHR (0.37) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5956740 0.72 TSHR (0.36) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5956890 0.72 TSHR (0.36) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5914650 0.70 MAPT (0.42) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL15898897 0.69 CA12 (0.44) ALDH1A1KDM4EHSD17B10LMNAMAOA

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
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed