SCHEMBL3720004

SCHEMBL3720004

CC(=O)NCCc1ccc2cc(Oc3ccc(Oc4ccc(OC(C)C)cc4)cc3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.64
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MTNR1A P48039 3/20 0.50
MTNR1B P49286 1/20 0.48
ACACA Q13085 3/20 0.48
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.45
F13A1 P00488 1/20 0.44
GLI1 P08151 1/20 0.44
GLI2 P10070 1/20 0.44

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
SCHEMBL3717478 1.00 ACACB (0.64) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3727563 0.89 ACACB (0.50) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3717831 0.89 ACACB (0.65) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3719665 0.86 ACACB (0.54) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3721755 0.86 GLA (0.55) ACACBKDM4EMAPTHPGDACACA
SCHEMBL3726453 0.86 KDM4E (0.63) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3727134 0.85 ACACB (0.67) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3727055 0.85 ACACB (0.56) ACACBKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3717221 0.85 KMT2A (0.48) ACACBSMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL3726787 0.85 ACACB (0.46) ACACBKDM4EALDH1A1MAPTHPGD

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 claimed