SCHEMBL3720745

SCHEMBL3720745

CC(=O)NCCc1ccc2cc(Oc3ccc(O)cc3C)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
F13A1 P00488 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
PTGS1 P23219 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
ACACB O00763 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
SCHEMBL3720092 0.87 KDM4E (0.50) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3727291 0.87 KDM4E (0.50) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3726453 0.85 KDM4E (0.63) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3726323 0.83 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3720173 0.82 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3723843 0.80 PARP15 (0.41) SMN1; SMN2MTNR1AMTNR1BACACB
SCHEMBL3719877 0.77 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2LMNAMAPTMTNR1A
SCHEMBL3722351 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL3726746 0.76 ACACB (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL3719665 0.76 ACACB (0.54) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT

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