SCHEMBL3144750

SCHEMBL3144750

CCCCOC(=O)C1CNCCC(=O)[N]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL1938997 0.77 ALDH1A1 (0.38) NAAAL3MBTL1TSHRTDP1CHRM1
SCHEMBL3202457 0.73 NAAA (0.38) NAAATSHR
SCHEMBL30376402 0.69 GNAI3 (0.42) NAAATSHRCHRM1ALDH1A1ATM
SCHEMBL3002273 0.69 GNAI3 (0.42) NAAATSHRCHRM1ALDH1A1ATM
SCHEMBL294742 0.69 ALDH1A1 (0.42) NAAAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL30404697 0.68 ALDH1A1 (0.40) NAAATSHRALDH1A1LMNAATM
SCHEMBL25299469 0.68 ALDH1A1 (0.47) NAAAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL14148449 0.68 ALDH1A1 (0.47) NAAAL3MBTL1TSHRTDP1CHRM1
SCHEMBL12961261 0.68 ALDH1A1 (0.47) NAAAL3MBTL1TSHRTDP1CHRM1
SCHEMBL6050362 0.67 SLC6A1 (0.47) TSHRALDH1A1KDM4ELMNAATM

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-2198710-A1 Use of 5-pyridin-4yl-(1,3) thiazoles for combating phytopathogenic fungi Bayer CropScience AG (DE) 2010-06-23 EP disclosed