SCHEMBL8729004

SCHEMBL8729004

CCOS(=O)(=O)c1ccc(C)cc1C1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
F2 P00734 2/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 5/20 0.36
HTT P42858 2/20 0.36
XBP1 P17861 1/20 0.36
ELANE P08246 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 1/20 0.33
P2RY2 P41231 2/20 0.32
P2RY4 P51582 2/20 0.32
HSD17B10 Q99714 3/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 1/20 0.32
VDR P11473 1/20 0.32

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
SCHEMBL28715400 0.77 ALDH1A1 (0.36) KDM4EALDH1A1F2MAPTKMT2A
SCHEMBL28695024 0.77 TSHR (0.33) ALDH1A1KMT2ATSHRHSD17B10MAPK1
SCHEMBL28704162 0.75 PTGDR2 (0.42) KMT2ATSHRHSD17B10SMN1; SMN2CASP1
SCHEMBL28467370 0.74 TSHR (0.34) ALDH1A1KMT2ATSHRHSD17B10MAPK1
SCHEMBL9539690 0.73 NPC1 (0.43) KDM4EALDH1A1F2MAPTKMT2A
SCHEMBL11782542 0.73 ALDH1A1 (0.49) KDM4EALDH1A1F2MAPTKMT2A
SCHEMBL3918082 0.72 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL28823865 0.71 RAPGEF4 (0.38) KDM4EALDH1A1F2MAPTCA1
SCHEMBL2656782 0.71 L3MBTL1 (0.42) KDM4EALDH1A1F2MAPTCA1
SCHEMBL29282409 0.71 PTGDR2 (0.36) KMT2ATSHRHSD17B10MAPK1MEN1

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
EP-0839833-A2 Catalyst systems for the polymerization and copolymerization of alpha-olefins REPSOL QUIMICA S.A. (ES) 1998-05-06 EP disclosed