SCHEMBL5818436

SCHEMBL5818436

CCCCOC(=O)NC(=S)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
EPHX1 P07099 2/20 0.39
ACHE P22303 7/20 0.38
NAAA Q02083 2/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4629907 0.87 GNAI3 (0.52) GNAI3GNAO1GNAI1EPHX1ACHE
SCHEMBL5817988 0.84 GNAI3 (0.39) GNAI3GNAO1GNAI1GAASMN1; SMN2
SCHEMBL4917731 0.78 GNAI3 (0.47) GNAI3GNAO1GNAI1EPHX1ALDH1A1
SCHEMBL953293 0.77 GNAI3 (0.55) GNAI3GNAO1GNAI1EPHX1ACHE
Bromide SCHEMBL11562531 0.76 GNAI3 (0.46) GNAI3GNAO1GNAI1EPHX1ALDH1A1
SCHEMBL2324370 0.75 GNAI3 (0.45) GNAI3GNAO1GNAI1EPHX1NAAA
SCHEMBL7051358 0.75 GNAI3 (0.49) GNAI3GNAO1GNAI1ACHETSHR
SCHEMBL3629004 0.74 EPHX1 (0.46) EPHX1ACHENAAAGAAMAPK1
SCHEMBL590532 0.73 EPHX1 (0.59) EPHX1ACHEALDH1A1TSHRNPSR1
SCHEMBL27500464 0.73 GNAI3 (0.43) GNAI3GNAO1GNAI1EPHX1NAAA

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed