SCHEMBL8778524

SCHEMBL8778524

[CH2]CCCCCCCOc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
KCNH2 Q12809 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
TSHR P16473 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8748237 1.00 L3MBTL1 (0.57) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL9026333 0.98 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL8789117 0.92 L3MBTL1 (0.56) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL72579 0.86 L3MBTL1 (0.55) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL8778502 0.85 TDP1 (0.54) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL9808263 0.81 L3MBTL1 (0.68) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL8956162 0.81 L3MBTL1 (0.57) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL7975151 0.81 L3MBTL1 (0.57) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL11662071 0.81 L3MBTL1 (0.62) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL5660214 0.79 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP1A2CYP2C19

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
EP-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed