SCHEMBL8977321

SCHEMBL8977321

CCCCCOc1ccc2cc(-c3cnc(CCCCCC(C)F)nc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 2/20 0.36
THRA P10827 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.36
RARB P10826 3/20 0.35
SPHK2 Q9NRA0 2/20 0.35
SLC2A1 P11166 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL8977381 0.87 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1RARB
SCHEMBL9584500 0.84 CYP2D6 (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7559183 0.84 SRC (0.41) SRCABL1CYP11B1CYP11B2CYP19A1
SCHEMBL9506313 0.78 RARB (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9506135 0.78 RARB (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9508494 0.78 RARB (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9506206 0.78 RARB (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9506319 0.78 RARB (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9506128 0.78 RARB (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10932238 0.77 CYP2D6 (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1

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-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP disclosed