SCHEMBL13817871

SCHEMBL13817871

Cc1ccc(-c2ccc(Cl)cc2)cc1C1=C(OC(=O)N2CCOCC2)CC(C)(C)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.47
ACACA Q13085 7/20 0.47
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 2/20 0.40
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL13817872 0.86 TSHR (0.46) ACACBACACAPOLBTSHREPHX1
SCHEMBL13817862 0.84 ACACB (0.51) ACACBACACAALDH1A1
SCHEMBL13761083 0.79 HRH3 (0.43) POLBTSHRKDM4ENPC1RAB9A
SCHEMBL13817869 0.77 ACACB (0.51) ACACBACACAHSD17B10
SCHEMBL2355632 0.76 ACACB (0.59) ACACBACACAHSD17B10
SCHEMBL2348656 0.70 ACACB (0.72) ACACBACACA
SCHEMBL11941316 0.68 ACACB (0.65) ACACBACACA
SCHEMBL13342935 0.67 POLB (0.60) POLBTSHREPHX1KDM4ERAB9A
SCHEMBL4546196 0.66 ACACB (0.67) ACACBACACA
SCHEMBL13817849 0.66 ACACB (0.47) ACACBACACAKDM4ESMN1; SMN2CYP1A2

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