SCHEMBL3723787

SCHEMBL3723787

CCOc1ccc(Oc2ccc3cc(CC=O)ccc3n2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.44
KMT2A Q03164 2/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ERN1 O75460 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
CSNK1D P48730 2/20 0.36
PPARG P37231 1/20 0.35
TEC P42680 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3722838 0.92 CSNK2A1 (0.40) ACACBPPARGSMN1; SMN2
SCHEMBL3721614 0.91 ACACB (0.36) ACACBMAPTALDH1A1RAB9AERN1
SCHEMBL3721014 0.89 ACACB (0.41) ACACBTEC
SCHEMBL3721410 0.87 MAPT (0.36) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL3723040 0.86 CSNK2A1 (0.43) ATMPPARGSMN1; SMN2
SCHEMBL3720459 0.86 ACACB (0.38) ACACBTECPDE3BPDE3A
SCHEMBL3720428 0.85 ACACB (0.47) ACACBPPARGHPGD
SCHEMBL3726994 0.85 ACACB (0.42) ACACBKMT2AMAPTALDH1A1ERN1
SCHEMBL3720106 0.85 SMN1; SMN2 (0.49) ACACBKMT2AALDH1A1KDM4EMEN1
SCHEMBL3720790 0.82 CSNK2A1 (0.41) ACACBKMT2AKDM4EMEN1LMNA

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