SCHEMBL3728844

SCHEMBL3728844

CC(C)Oc1ccc(Oc2ccc3cc(CCNCC(=O)O)ccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
ACACB O00763 12/20 0.43
ACACA Q13085 7/20 0.43
KDM4E B2RXH2 1/20 0.42
OPRM1 P35372 4/20 0.40
OPRD1 P41143 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
OPRK1 P41145 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL3722663 0.88 ACACB (0.43) FFAR4ACACBACACAKDM4EMTNR1A
SCHEMBL3727055 0.85 ACACB (0.56) ACACBACACAKDM4EMTNR1AMTNR1B
SCHEMBL3719466 0.85 ACACB (0.41) FFAR4ACACBACACAKDM4EMTNR1A
SCHEMBL3728875 0.84 ACACB (0.44) FFAR4ACACBACACAMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3722701 0.82 ACACB (0.44) ACACBACACAMTNR1AMTNR1B
SCHEMBL13076818 0.79 ACACB (0.43) ACACBACACAEGLN1
SCHEMBL3717202 0.79 ACACB (0.38) FFAR4ACACBACACA
SCHEMBL3717201 0.79 ACACB (0.38) FFAR4ACACBACACA
SCHEMBL3726328 0.79 ACACB (0.40) ACACBACACA
SCHEMBL3719633 0.76 ACACB (0.53) ACACBACACAMTNR1AMTNR1B

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed