SCHEMBL40439

SCHEMBL40439

CC(c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
CYP2D6 P10635 2/20 0.52
MAPT P10636 1/20 0.49
BRD4 O60885 2/20 0.48
KMT2A Q03164 1/20 0.46
MC4R P32245 1/20 0.46
SLC1A2 P43004 1/20 0.45
PKM P14618 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HSD11B1 P28845 1/20 0.42
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
USP1 O94782 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9390740 0.92 ALDH1A1 (0.50) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL9017821 0.80 HSD11B1 (0.46) ALDH1A1CHRM2CHRM1HSD11B1CYP2C19
SCHEMBL11117773 0.78 MAPT (0.42) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL30806308 0.77 ATAD2 (0.51) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL27377029 0.77 ATAD2 (0.51) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL27377008 0.77 ATAD2 (0.51) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL30806711 0.77 ATAD2 (0.51) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL27376481 0.77 ATAD2 (0.51) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL30806823 0.77 ATAD2 (0.51) ALDH1A1HPGDCYP2D6MAPTBRD4
SCHEMBL11082747 0.77 KMT2A (0.48) ALDH1A1HPGDCYP2D6MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414215-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS Yeda Research and Development Co. Ltd (IL) 2018-12-19 EP disclosed
WO-2017137984-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-17 WO disclosed
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed