SCHEMBL3719665

SCHEMBL3719665

CC(=O)NCCc1ccc2cc(Oc3ccc(OC(C)C)cc3Cl)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 1/20 0.43
CES2 O00748 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARG Q86W56 1/20 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
SCHEMBL3726989 0.87 MTNR1A (0.50) ACACBSMN1; SMN2MTNR1AMTNR1B
SCHEMBL3727291 0.87 KDM4E (0.50) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3720004 0.86 ACACB (0.64) ACACBSMN1; SMN2MTNR1AMTNR1BCES2
SCHEMBL3717478 0.86 ACACB (0.64) ACACBSMN1; SMN2MTNR1AMTNR1BCES2
SCHEMBL3722351 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL3724749 0.85 ACACB (0.45) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3720513 0.84 MTNR1A (0.49) ACACBSMN1; SMN2MTNR1AMTNR1BCES2
SCHEMBL3720624 0.84 ALDH1A1 (0.49) ACACBSMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL3718635 0.83 PPARA (0.45) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3727221 0.83 ACACB (0.45) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E

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