SCHEMBL13087409

SCHEMBL13087409

COc1cc(OC(=O)OC(C)(C)C)c(/C=C/C(=O)N2CCCCC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
KMT2A Q03164 2/20 0.46
BCHE P06276 3/20 0.44
MAOA P21397 3/20 0.44
ACHE P22303 3/20 0.44
MAOB P27338 3/20 0.44
PTGS2 P35354 2/20 0.43
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 2/20 0.40
PELI1 Q96FA3 2/20 0.39
NFE2L2 Q16236 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
SCHEMBL10227977 0.92 HPGD (0.53) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766044 0.91 HPGD (0.45) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL13087048 0.84 TRPV1 (0.47) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766065 0.83 HPGD (0.41) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL13087151 0.83 HPGD (0.53) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766030 0.83 HPGD (0.49) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766038 0.82 ALDH1A1 (0.47) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766051 0.81 TRPV1 (0.51) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766006 0.81 PELI1 (0.56) HPGDALDH1A1KDM4ETRPV1KMT2A
SCHEMBL766018 0.80 HPGD (0.46) HPGDALDH1A1KDM4ETRPV1KMT2A

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-2010113813-A1 BASE-GENERATING AGENT, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING MATERIAL COMPRISING THE PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING METHOD AND ARTICLE USING THE PHOTOSENSITIVE RESIN COMPOSITION 大日本印刷株式会社 (JP) 2010-10-07 WO disclosed