SCHEMBL9001602

SCHEMBL9001602

CCCCCCCCCCOc1ccc(-c2nc3cc(OC(C)=O)ccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
THRB P10828 1/20 0.51
P2RY14 Q15391 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
RARB P10826 3/20 0.45
CETP P11597 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9001548 0.89 MAPT (0.58) MAPTTP53RXFP1THRBKDM4E
SCHEMBL8307428 0.87 MAPT (0.58) MAPTTP53RXFP1THRBP2RY14
SCHEMBL8308595 0.86 RARB (0.62) MAPTTP53RXFP1THRBTSHR
SCHEMBL7333665 0.86 RARB (0.62) MAPTTP53RXFP1THRBTSHR
SCHEMBL9001558 0.84 ESR1 (0.60) MAPTTP53RXFP1THRBCHRNB4
SCHEMBL8307382 0.83 MAPT (0.54) MAPTTP53RXFP1THRBRARB
SCHEMBL8306605 0.83 MAPT (0.54) MAPTTP53RXFP1THRBKDM4E
SCHEMBL9001546 0.83 SMN1; SMN2 (0.62) MAPTTP53RXFP1THRBKDM4E
SCHEMBL7606471 0.82 MAPT (0.55) MAPTTP53RXFP1THRBHSD17B10
SCHEMBL9001581 0.81 MAPT (0.53) MAPTTP53RXFP1THRBP2RY14

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-0460703-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1996-09-04 EP disclosed
US-5318720-A Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0460703-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed