SCHEMBL3724749

SCHEMBL3724749

CC(=O)NCCc1ccc2cc(Oc3ccc(Oc4ccncc4)cc3Cl)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK14 Q16539 1/20 0.41
FFAR1 O14842 1/20 0.41
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL3717195 0.88 MAPK1 (0.45) ACACBMTNR1AMTNR1BSMN1; SMN2GAA
SCHEMBL3720624 0.87 ALDH1A1 (0.49) ACACBMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL3722351 0.86 SMN1; SMN2 (0.54) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1
SCHEMBL3720776 0.85 PLAAT3 (0.48) ACACBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL3719665 0.85 ACACB (0.54) ACACBMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL3727291 0.85 KDM4E (0.50) ACACBMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL3721546 0.84 ACACB (0.45) ACACBMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL3724568 0.84 ACACB (0.44) ACACBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL3717145 0.83 KDM4E (0.43) ACACBMTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL3723713 0.83 MTNR1A (0.41) ACACBMTNR1AMTNR1BMAPTSMN1; SMN2

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