SCHEMBL8570866

SCHEMBL8570866

Cc1cccc(OCC(F)(F)F)c1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN8A Q9UQD0 5/20 0.39
SCN4A P35499 7/20 0.38
SCN9A Q15858 3/20 0.38
LMNA P02545 2/20 0.38
SCN1A P35498 2/20 0.38

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
SCHEMBL23977889 0.89 SMN1; SMN2 (0.39) PTPN1KDM4EMEN1USP2ALDH1A1
SCHEMBL16280979 0.88 SCN4A (0.47) ALDH1A1SCN8ASCN4ASCN9ALMNA
SCHEMBL19563032 0.83 HTR1B (0.51) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL8568345 0.83 PTPN1 (0.41) PTPN1ALDH1A1MAPTSCN8ASCN4A
SCHEMBL4523648 0.82 ALDH1A1 (0.47) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL8571629 0.81 PTPN1 (0.41) PTPN1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL23977878 0.81 ALDH1A1 (0.40) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL23977882 0.80 HSP90AA1 (0.39) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL5376369 0.80 MAPT (0.47) KDM4EMEN1USP2ALDH1A1HSP90AA1
SCHEMBL28126748 0.80 ALDH1A1 (0.39) MEN1ALDH1A1KMT2AL3MBTL1SCN8A

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
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
US-5556821-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed