SCHEMBL13817872

SCHEMBL13817872

Cc1ccc(-c2ccc(Cl)cc2)cc1C1=C(OC(=O)N2CCOCC2)NC(C)(C)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
EPHX1 P07099 2/20 0.43
ACACB O00763 5/20 0.42
ACACA Q13085 5/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LIPE Q05469 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
SCHEMBL13817871 0.86 ACACB (0.47) TSHRPOLBEPHX1ACACBACACA
SCHEMBL13817862 0.70 ACACB (0.51) ACACBACACA
SCHEMBL2355632 0.69 ACACB (0.59) ACACBACACAHSD17B10
SCHEMBL13761083 0.68 HRH3 (0.43) TSHRPOLBRAB9ASMN1; SMN2KDM4E
SCHEMBL10079442 0.68 ACACB (0.45) ACACBACACA
SCHEMBL13342935 0.67 POLB (0.60) TSHRPOLBEPHX1RAB9ASMN1; SMN2
SCHEMBL2355638 0.66 ACACB (0.50) ACACBACACASMN1; SMN2KMT2AHSD17B10
SCHEMBL2348656 0.66 ACACB (0.72) ACACBACACA
SCHEMBL13745331 0.66 ACACB (0.52) ACACBACACAKMT2A
SCHEMBL13342919 0.65 RAB9A (0.62) TSHRPOLBEPHX1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 US disclosed
US-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 US disclosed
EP-1276741-B1 PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE AND ITS USE AS PESTICIDE AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2008-12-31 EP disclosed