SCHEMBL5310644

SCHEMBL5310644

CCOS(=O)(=O)c1ccc(C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CMA1 P23946 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.42
FFAR4 Q5NUL3 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL28311125 0.87 ALDH1A1 (0.43) TSHRMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27886951 0.83 MAPT (0.50) TSHRPOLBMAPK1MAPTALDH1A1
SCHEMBL27511647 0.83 HTT (0.44) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL28645585 0.83 PTPN1 (0.40) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL28651157 0.81 RXRA (0.35) TSHRPOLBMAPTALDH1A1HTT
Water SCHEMBL28355074 0.81 HTT (0.42) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL13432836 0.81 MAPK1 (0.48) TSHRPOLBMAPK1MAPTALDH1A1
SCHEMBL6204947 0.80 LMNA (0.37) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL28488096 0.80 TSHR (0.39) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL27886953 0.80 CA1 (0.62) TSHRPOLBMAPK1MAPTALDH1A1

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-107922407-A Respiratory Syncytial Virus(RSV) inhibitor 美迪维尔公司 2018-04-17 CN disclosed
CN-102439520-B Photosensitive resin composition ASAHI KASEI E MATERIALS CORP 2014-08-27 CN disclosed
CN-103988127-A Photosensitive resin composition, method for producing cured relief pattern, semiconductor device, and display device ASAHI KASEI E MATERIALS CORP 2014-08-13 CN disclosed
CN-102439520-A Photosensitive resin composition ASAHI KASEI E MATERIALS CORP 2012-05-02 CN disclosed
CN-102229609-A Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP 2011-11-02 CN disclosed
CN-101031569-A Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors ICOS CORP (US) 2007-09-05 CN disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed