SCHEMBL13746830

SCHEMBL13746830

Cc1cc2c(cc1C#Cc1ccccc1)C(=O)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.42
APP P05067 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL13741752 0.88 GRM5 (0.49) GRM5APPNPC1KDM4EMEN1
SCHEMBL13502130 0.76 APP (0.43) GRM5APPHAO1NPC1KDM4E
Toluene SCHEMBL7860098 0.75 GRM5 (0.57) GRM5ALOX15TDP1CA12CA2
SCHEMBL72823 0.75 GRM5 (0.66) GRM5APPALDH1A1MAPTALOX15
SCHEMBL30861777 0.74 GRM5 (0.54) GRM5KDM4ECYP1A2CYP2C19ALOX15
SCHEMBL29246852 0.74 GRM5 (0.54) GRM5KDM4ECYP1A2CYP2C19ALOX15
SCHEMBL13746829 0.73 ALOX15 (0.34) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL17548203 0.72 APP (0.43) GRM5APPNPC1KDM4EMEN1
SCHEMBL14523507 0.71 APP (0.41) GRM5APPHAO1NPC1KDM4E
SCHEMBL29546502 0.71 ALOX15 (0.43) GRM5APPNPC1KDM4EMEN1

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
WO-2009099954-A1 NOVEL POSITIVE PHOTOSENSITIVE RESIN COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2009-08-13 WO disclosed