SCHEMBL9738478

SCHEMBL9738478

COC(=O)C(=CO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 5/20 0.43
GAA P10253 2/20 0.43
SRC P12931 1/20 0.43
AKR1C1 Q04828 1/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
AKT1 P31749 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 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
SCHEMBL13116685 1.00 TSHR (0.52) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL9738473 1.00 TSHR (0.52) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL10624916 0.98 TSHR (0.50) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4013088 0.86 TSHR (0.54) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL2048794 0.86 TSHR (0.54) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL7807838 0.86 TSHR (0.54) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL2812354 0.82 SMN1; SMN2 (0.54) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4007052 0.82 TSHR (0.50) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL2812357 0.82 SMN1; SMN2 (0.54) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL6947589 0.82 TSHR (0.50) TSHRKDM4ESMN1; SMN2TDP1L3MBTL1

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 7 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 disclosed
CN-106008273-A Novel polymerizable compound and method for producing same 日产化学工业株式会社 2016-10-12 CN disclosed
CN-104395361-A Novel polymerizable compound and method for producing same NISSAN CHEMICAL IND LTD 2015-03-04 CN disclosed
US-5145954-A Fungicides, insecticides, plant growth regualtors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-08 US disclosed
EP-0244077-B1 SULPHIDES DERIVED FROM SUBSTITUTED PHENYL-2-ACRYLIC ACID IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-24 EP disclosed
CN-87102877-A Sterilant 1988-02-10 CN disclosed
EP-0244077-A1 Sulphides derived from substituted phenyl-2-acrylic acid IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-11-04 EP disclosed