SCHEMBL8602970

SCHEMBL8602970

CCC(C)OC(=O)COc1cc(N)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.43
PPOX P50336 1/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8598863 0.88 TSHR (0.47) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8602520 0.82 CUL4A (0.33) MAPTTSHRLMNAPPOXHPGD
SCHEMBL7533766 0.82 PPOX (0.56) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8603307 0.81 LMNA (0.65) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8599207 0.80 ALDH1A1 (0.51) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8602477 0.79 MAPT (0.42) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8598548 0.78 LMNA (0.46) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL31349866 0.78 TDP1 (0.57) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8603144 0.78 ALDH1A1 (0.62) MAPTTDP1L3MBTL1TSHRLMNA
SCHEMBL8599131 0.77 SLC2A1 (0.39) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed