SCHEMBL3721039

SCHEMBL3721039

CC(=O)NCCc1ccc2cc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.51
MTNR1A P48039 3/20 0.50
HTR2C P28335 1/20 0.50
ACACB O00763 9/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MTNR1B P49286 1/20 0.45

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
SCHEMBL3720199 0.87 MTNR1A (0.52) ACACAMTNR1AHTR2CACACBALDH1A1
SCHEMBL3726966 0.85 ACACA (0.47) ACACAMTNR1AHTR2CACACB
SCHEMBL3726818 0.84 ACACB (0.64) MTNR1AACACBALDH1A1SMN1; SMN2KDM4E
SCHEMBL3723843 0.83 PARP15 (0.41) ACACAMTNR1AHTR2CACACBSMN1; SMN2
SCHEMBL3720443 0.82 ACACB (0.50) ACACAMTNR1AHTR2CACACB
SCHEMBL3726453 0.82 KDM4E (0.63) MTNR1AACACBALDH1A1SMN1; SMN2KDM4E
SCHEMBL3727134 0.81 ACACB (0.67) ACACAMTNR1AACACBALDH1A1SMN1; SMN2
SCHEMBL3717478 0.79 ACACB (0.64) ACACAMTNR1AACACBALDH1A1SMN1; SMN2
SCHEMBL3720004 0.79 ACACB (0.64) ACACAMTNR1AACACBALDH1A1SMN1; SMN2
SCHEMBL3724290 0.77 MTNR1A (0.48) ACACAMTNR1AHTR2CACACBSMN1; 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 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