SCHEMBL3728649

SCHEMBL3728649

COc1cc(OC(C)C)ccc1Oc1ccc2cc(CCNC(C)=O)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
ACACB O00763 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NOD2 Q9HC29 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.42

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
SCHEMBL3724129 0.91 MTNR1A (0.53) MTNR1AMTNR1BACACBPKMSMN1; SMN2
SCHEMBL3726989 0.89 MTNR1A (0.50) MTNR1AMTNR1BACACBSMN1; SMN2
SCHEMBL3727055 0.88 ACACB (0.56) MTNR1AMTNR1BACACBSMN1; SMN2KDM4E
SCHEMBL3720615 0.87 MTNR1A (0.53) MTNR1AMTNR1BACACBPKMSMN1; SMN2
SCHEMBL3723798 0.86 MTNR1A (0.48) MTNR1AMTNR1BACACBSMN1; SMN2
SCHEMBL3727352 0.85 MTNR1A (0.50) MTNR1AMTNR1BACACBSMN1; SMN2KDM4E
SCHEMBL3719633 0.85 ACACB (0.53) MTNR1AMTNR1BACACB
SCHEMBL3720128 0.84 KDM4E (0.45) PKMSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3720513 0.84 MTNR1A (0.49) MTNR1AMTNR1BACACBSMN1; SMN2
SCHEMBL3717771 0.82 MEN1 (0.37) ACACBSMN1; SMN2KMT2AMEN1ALDH1A1

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