SCHEMBL8955798

SCHEMBL8955798

OCCCCCCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
TP53 P04637 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
S1PR4 O95977 4/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 5/20 0.52
TSHR P16473 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NLRP1 Q9C000 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL10727219 0.98 MAPK1 (0.62) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL8794130 0.93 TP53 (0.64) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL8955786 0.87 ALDH1A1 (0.69) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL4334537 0.87 S1PR4 (0.61) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL9214093 0.83 MAPT (0.57) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL11413525 0.82 S1PR4 (0.66) S1PR4MAPTTDP1
SCHEMBL15894081 0.82 ALDH1A1 (0.60) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL8918360 0.82 MAPT (0.53) MAPK1S1PR4MAPTALDH1A1TDP1
SCHEMBL15894082 0.82 ALDH1A1 (0.60) MAPK1TP53L3MBTL1S1PR4MAPT
SCHEMBL8778533 0.82 MAPT (0.53) MAPK1S1PR4MAPTALDH1A1TDP1

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-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed