SCHEMBL8778533

SCHEMBL8778533

[CH2]CCCCCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
S1PR4 O95977 9/20 0.50
HPGD P15428 5/20 0.49
TSHR P16473 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL10741318 0.98 MAPT (0.54) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL10735241 0.93 MAPT (0.55) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL3283054 0.87 S1PR4 (0.54) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL8778628 0.86 ALDH1A1 (0.54) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL9214093 0.83 MAPT (0.57) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL11413525 0.82 S1PR4 (0.66) MAPTS1PR4TDP1
SCHEMBL8918360 0.82 MAPT (0.53) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL15894082 0.82 ALDH1A1 (0.60) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL15894081 0.82 ALDH1A1 (0.60) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL8955798 0.82 MAPK1 (0.61) MAPTS1PR4HPGDTSHRRAB9A

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