SCHEMBL20181632

SCHEMBL20181632

CCC(CC)N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
GALR3 O60755 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
ALOX15 P16050 1/20 0.35
APP P05067 6/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
CASP7 P55210 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4549126 0.86 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL15233564 0.82 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL21015116 0.79 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL10260048 0.79 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL20181630 0.79 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL4556685 0.78 ALDH1A1 (0.41) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL24761525 0.76 CA9 (0.35) GALR3TNF
SCHEMBL15479586 0.76 POLB (0.50) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL22808125 0.76 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL18914733 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AMAPT

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-2018093118-A1 POLYIMIDE-BASED BLOCK COPOLYMER FILM 주식회사 엘지화학 2018-05-24 WO disclosed