SCHEMBL13586232

SCHEMBL13586232

CCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(OC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
BACE1 P56817 1/20 0.40
SYK P43405 1/20 0.40
FFAR1 O14842 2/20 0.40
PPARD Q03181 1/20 0.40
CYP2C19 P33261 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
APP P05067 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39

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
SCHEMBL14767114 0.93 MAPT (0.47) MAPTTHRBKMT2ATP53BACE1
SCHEMBL14767151 0.93 KMT2A (0.45) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL12741887 0.91 ALDH1A1 (0.41) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL12741858 0.91 MAPT (0.43) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL12741893 0.90 MAPT (0.42) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL12822521 0.90 KMT2A (0.50) MAPTKMT2ABACE1CYP2C19APP
SCHEMBL14766751 0.89 FFAR1 (0.46) MAPTTHRBKMT2AFFAR1CYP2C19
SCHEMBL14766141 0.89 MAPT (0.50) MAPTTHRBKMT2ATP53BACE1
SCHEMBL12741863 0.88 MAPT (0.50) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL12741868 0.87 KCNQ3 (0.37) MAPTTHRBKMT2AFFAR1PPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed