SCHEMBL27657935

SCHEMBL27657935

O=COC(CCCOc1ccccc1O)Cc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TACR3 P29371 6/20 0.35
▸ ALPL P05186 2/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL27963122 0.78 MME (0.42) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL27963121 0.77 MAPT (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL27678048 0.74 NPC1 (0.40) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL27657760 0.74 MAPT (0.40) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL27794706 0.74 ALPL (0.37) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL28123462 0.73 ALPL (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL27815832 0.72 MAPT (0.37) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL27963119 0.70 LMNA (0.45) RAB9ALMNACYP2D6CYP2C9MME
SCHEMBL27963156 0.69 MAPT (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28013861 0.68 ALPL (0.40) KMT2AMEN1NPC1RAB9AMAPT

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
CN-1958589-A 6 (aryloxy methyl) - 2 aryl - 6, 7 dihydro 4H - pyrido [5,1 c ] [1,4] oxaxine - 4 - ketone derivative, and preparation method UNIV SHANDONG (CN) 2007-05-09 — — CN disclosed
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