SCHEMBL9048918

SCHEMBL9048918

Oc1ccc(-c2ccc(OCc3ccccc3)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
LMNA P02545 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
P4HTM Q9NXG6 1/20 0.55
DGAT1 O75907 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCL1 Q07820 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL22314946 0.82 DGAT1 (0.50) CYP2C19P4HTMDGAT1MEN1KMT2A
SCHEMBL254671 0.81 LMNA (0.88) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL6534698 0.81 CYP1A2 (0.62) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL1699198 0.80 DGAT1 (0.60) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL8615555 0.80 DGAT1 (0.56) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL8612081 0.80 DGAT1 (0.56) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL6059234 0.80 LMNA (0.85) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL9084030 0.80 DGAT1 (0.53) CYP1A2LMNAPTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL11272996 0.79 LMNA (1.00) CYP1A2LMNAPTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL1903511 0.79 LMNA (1.00) CYP1A2LMNAPTGS1SLC6A2CYP2C19

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
EP-0736078-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-09 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995017481-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-29 WO disclosed