SCHEMBL14101291

SCHEMBL14101291

CN(CCOCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
CHRM3 P20309 5/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
KDM4E B2RXH2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL14101285 0.85 FDPS (0.40) ACHEALDH1A1POLBCHRM3CHRM2
SCHEMBL14101227 0.84 CHRM3 (0.40) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL4741477 0.82 LMNA (0.38) ACHEALDH1A1CHRM3CHRM2CHRM4
SCHEMBL14101035 0.81 ALDH1A1 (0.40) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL4742907 0.81 CHRM3 (0.41) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL3227969 0.73 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM1SIGMAR1
SCHEMBL14101197 0.71 ATM (0.43) ALDH1A1CHRM3CHRM2CHRM4CHRM1
SCHEMBL27795411 0.71 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1SIGMAR1
SCHEMBL4783504 0.71 LMNA (0.39) ALDH1A1CHRM3CHRM2CHRM1
SCHEMBL3217762 0.70 CHRM3 (0.42) CHRM3CHRM2CHRM4CHRM1

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed