SCHEMBL3717831

SCHEMBL3717831

CC(=O)NCCc1ccc2cc(Cc3ccc(OC(C)C)cc3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.65
SMN1; SMN2 Q16637 1/20 0.52
MTNR1A P48039 5/20 0.51
MTNR1B P49286 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.49
BLM P54132 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48
F13A1 P00488 1/20 0.46
CES2 O00748 1/20 0.46
FFAR4 Q5NUL3 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
SCHEMBL3720004 0.89 ACACB (0.64) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3717478 0.89 ACACB (0.64) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3728644 0.85 ACACB (0.60) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL12001280 0.82 ACACB (0.78) ACACBSMN1; SMN2MTNR1AKDM4EALDH1A1
SCHEMBL3727055 0.82 ACACB (0.56) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3719665 0.80 ACACB (0.54) ACACBSMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL255791 0.79 ACACB (1.00) ACACBSMN1; SMN2
SCHEMBL3717830 0.79 ACACB (0.57) ACACBPOLB
SCHEMBL3719877 0.78 SMN1; SMN2 (0.74) SMN1; SMN2MTNR1AMTNR1BKDM4ELMNA
SCHEMBL3727563 0.78 ACACB (0.50) ACACBSMN1; SMN2MTNR1AKDM4EALDH1A1

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