SCHEMBL14469047

SCHEMBL14469047

CCCCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 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
SCHEMBL14469045 0.84 CYP2C9 (0.41) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL14449492 0.83 PRMT5 (0.41) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL10764754 0.81 CYP2C9 (0.50) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL10764762 0.81 CYP2C9 (0.50) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL13402048 0.80 KDM1A (0.39) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL10765768 0.79 RAB9A (0.48) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL10765763 0.79 RAB9A (0.48) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL11113013 0.79 ALDH1A1 (0.45) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL11113008 0.79 ALDH1A1 (0.45) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL10043320 0.79 KDM1A (0.38) CYP2C9PDE4APDE4BPDE4CPDE4D

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
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed