SCHEMBL17580433

SCHEMBL17580433

COc1ccc(NC=O)c(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
OR51E2 Q9H255 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
LPAR1 Q92633 2/20 0.40
APLNR P35414 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL2203559 0.85 ALDH1A1 (0.56) HTTOR51E2ALDH1A1MAPTCYP1A1
SCHEMBL17580571 0.79 P2RX3 (0.41) HTTALDH1A1HPGDSMN1; SMN2LPAR1
SCHEMBL22048697 0.79 OR51E2 (0.43) HTTOR51E2ALDH1A1MAPTCYP1A1
SCHEMBL899151 0.76 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL5597294 0.75 GAA (0.53) HTTOR51E2ALDH1A1MAPTCYP1A1
SCHEMBL1758614 0.75 ALDH1A1 (0.56) HTTOR51E2ALDH1A1MAPTHPGD
SCHEMBL543548 0.75 TSHR (0.56) HTTALDH1A1MAPTCYP1A2NPC1
SCHEMBL23190912 0.74 CA12 (0.48) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL31432473 0.73 TRIM24 (0.56) OR51E2ALDH1A1MAPTCYP1A1CYP1A2
SCHEMBL2095308 0.73 OR51E2 (0.48) HTTOR51E2ALDH1A1MAPTCYP1A1

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
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed