SCHEMBL9045872

SCHEMBL9045872

CSCCOC(=O)CC(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
FAAH O00519 3/20 0.36
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL9046031 0.81 FAAH (0.38) FAAHMGAMGAASIMGAM2
SCHEMBL4640687 0.78 FAAH (0.47) ALDH1A1FAAHMGAMGAASI
SCHEMBL10982819 0.78 GAA (0.46) ALDH1A1FAAHMGAMGAASI
SCHEMBL7264663 0.77 FAAH (0.37) FAAHMGAMGAASIMGAM2
SCHEMBL9668517 0.76 FAAH (0.38) ALDH1A1FAAHMGAMGAASI
SCHEMBL8970374 0.74 FAAH (0.58) ALDH1A1FAAH
SCHEMBL14346946 0.73 MGAM (0.41) ALDH1A1MGAMGAASIMGAM2
SCHEMBL11768048 0.73 FAAH (0.46) ALDH1A1FAAHGAA
SCHEMBL10775601 0.73 FAAH (0.66) ALDH1A1FAAH
SCHEMBL9048654 0.73 MTNR1A (0.47) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115770-B2 Thiazole Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-19 EP disclosed
US-4695639-A Thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-09-22 US disclosed
EP-0115770-B1 THIAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0115770-A1 Thiazole Derivatives Takeda Chemical Industries, Ltd. (JP) 1984-08-15 EP disclosed