SCHEMBL28374331

SCHEMBL28374331

COC(=O)CC(=C=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTGS2 P35354 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL29169654 0.83 KMT2A (0.49) HPGDALDH1A1L3MBTL1LMNAMAPT
SCHEMBL28203125 0.82 TSHR (0.48) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL30854357 0.81 MEN1 (0.53) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29281177 0.81 MEN1 (0.53) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1531237 0.78 ERCC5 (0.58) HPGDALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL28912674 0.74 NPC1 (0.50) HPGDALDH1A1KDM4ECES2CES1
SCHEMBL9263357 0.71 KMT2A (0.60) HPGDALDH1A1L3MBTL1LMNAMAPT
SCHEMBL28121004 0.71 ALOX15 (0.47) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL3411071 0.71 BCL2L1 (0.42) HPGDALDH1A1L3MBTL1MAPTCES2
SCHEMBL24209522 0.71 MMP1 (0.59) HPGDALDH1A1L3MBTL1KDM4ELMNA

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
CN-107674027-B 13C-marked pyraoxystrobin and synthetic method thereof 河南衡谱分析检测技术有限公司 2020-03-27 CN claimed
CN-107674027-B 13C-marked pyraoxystrobin and synthetic method thereof 河南衡谱分析检测技术有限公司 2020-03-27 CN disclosed