SCHEMBL4786299

SCHEMBL4786299

CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCN(S(=O)(=O)c2c(CC)cccc2C(=O)NCC)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.51
ACACA Q13085 17/20 0.51
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4255505 0.82 ACACB (0.51) ACACBACACAGAA
SCHEMBL4263567 0.80 ACACB (0.51) ACACBACACAGAA
SCHEMBL4255357 0.79 ACACB (0.49) ACACBACACAGAACYP1A2CYP2C9
SCHEMBL4252827 0.76 ACACB (0.47) ACACBACACA
SCHEMBL2210681 0.75 ACACB (0.60) ACACBACACAKDM4ECYP1A2CYP3A4
SCHEMBL12510672 0.74 ACACB (0.58) ACACBACACAKDM4ECYP1A2CYP3A4
SCHEMBL4254308 0.74 ACACB (0.57) ACACBACACA
SCHEMBL4254216 0.73 ACACB (0.59) ACACBACACA
SCHEMBL4259844 0.73 ACACB (0.61) ACACBACACA
SCHEMBL3491416 0.72 ACACB (0.60) ACACBACACAKDM4ECYP1A2CYP3A4

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-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO claimed