SCHEMBL28375112

SCHEMBL28375112

COC(=O)C(C)=C(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.46
F2 P00734 1/20 0.46
CES1 P23141 4/20 0.45
CES2 O00748 3/20 0.45
SRC P12931 1/20 0.44
MAPT P10636 3/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15081529 0.85 TSHR (0.56) TSHRLMNAF2CES1CES2
SCHEMBL14868116 0.85 TSHR (0.56) TSHRLMNAF2CES1CES2
SCHEMBL14868118 0.85 TSHR (0.56) TSHRLMNAF2CES1CES2
SCHEMBL1158705 0.83 TSHR (0.54) TSHRLMNAF2CES1CES2
SCHEMBL28374366 0.82 TSHR (0.52) TSHRLMNAF2CES1CES2
SCHEMBL7573814 0.81 TSHR (0.56) TSHRLMNAF2CES1CES2
SCHEMBL27744142 0.80 CES2 (0.52) TSHRLMNACES1CES2SRC
SCHEMBL7351069 0.80 TSHR (0.50) TSHRLMNAF2CES1CES2
SCHEMBL27546728 0.79 ALDH1A1 (0.57) TSHRLMNAMAPTTDP1KMT2A
SCHEMBL7547122 0.78 TSHR (0.58) TSHRLMNAF2CES1CES2

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