SCHEMBL3723713

SCHEMBL3723713

CC(=O)NCCc1ccc2cc(Oc3ccc(Oc4cncs4)cc3Cl)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 7/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARG Q86W56 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL3724749 0.83 ACACB (0.45) MTNR1AMTNR1BSMN1; SMN2ACACBKDM4E
SCHEMBL3717195 0.82 MAPK1 (0.45) MTNR1AMTNR1BSMN1; SMN2ACACB
SCHEMBL3720776 0.81 PLAAT3 (0.48) MTNR1AMTNR1BSMN1; SMN2ACACB
SCHEMBL3717145 0.81 KDM4E (0.43) MTNR1AMTNR1BSMN1; SMN2ACACBKDM4E
SCHEMBL3719665 0.81 ACACB (0.54) MTNR1AMTNR1BSMN1; SMN2ACACBKDM4E
SCHEMBL3727291 0.81 KDM4E (0.50) MTNR1AMTNR1BSMN1; SMN2ACACBKDM4E
SCHEMBL3720624 0.81 ALDH1A1 (0.49) MTNR1AMTNR1BSMN1; SMN2ACACBALDH1A1
SCHEMBL3718523 0.80 PARG (0.34) KDM4EPARG
SCHEMBL3718519 0.80 ESRRA (0.47) SMN1; SMN2ALDH1A1MAPTPARG
SCHEMBL3722351 0.80 SMN1; SMN2 (0.54) MTNR1AMTNR1BSMN1; SMN2ALDH1A1MAPT

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