SCHEMBL27396166

SCHEMBL27396166

C=CC(=O)OOC(=O)c1ccc(C(=O)OC)cc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 9/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL27759432 0.88 ALDH1A1 (0.52) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL27780783 0.86 ALDH1A1 (0.49) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL27759436 0.86 ALDH1A1 (0.49) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL27421953 0.86 TSHR (0.43) TSHRKDM4EALDH1A1HSD17B10CA12
SCHEMBL12225855 0.85 TSHR (0.56) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL29378621 0.85 CA12 (0.43) TSHRKDM4EALDH1A1MAPTCA12
SCHEMBL28805865 0.84 KDM4E (0.44) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL20996786 0.84 KDM4E (0.56) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL28124477 0.82 ALDH1A1 (0.49) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1254075 0.81 TSHR (0.66) TSHRKDM4EALDH1A1HSD17B10MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101589075-A Multi-part redox-curing-type composition KURARAY MEDICAL INC (JP) 2009-11-25 CN claimed
CN-101909579-B Cement for dental applications KURARAY MEDICAL INC 2013-11-20 CN disclosed
CN-102356097-B Redox-curing type composition KURARAY MEDICAL INC 2013-09-18 CN disclosed
CN-102099383-B Polymerizable composition suitable for LED light source KURARAY MEDICAL INC 2013-06-19 CN disclosed
CN-103118626-A Dental mill blank KURARAY MEDICAL INC 2013-05-22 CN disclosed
CN-102821737-A Dental adhesive material kit KURARAY MEDICAL INC 2012-12-12 CN disclosed
CN-102811695-A One-pack dental adhesive material composition KURARAY MEDICAL INC 2012-12-05 CN disclosed
CN-101663336-B Polymerizable monomer, polymerizable composition and dental material KURARAY MEDICAL INC 2012-10-10 CN disclosed
CN-102356097-A Redox-curing type composition KURARAY MEDICAL INC 2012-02-15 CN disclosed
CN-102099383-A Polymerizable composition suitable for LED light source KURARAY MEDICAL INC 2011-06-15 CN disclosed
CN-101909579-A Cement for dental applications KURARAY MEDICAL INC 2010-12-08 CN disclosed
CN-101663336-A Polymerizable monomer, polymerizable composition and dental material KURARAY MEDICAL INC (JP) 2010-03-03 CN disclosed
CN-101589075-A Multi-part redox-curing-type composition KURARAY MEDICAL INC (JP) 2009-11-25 CN disclosed
CN-1087928-C Antimicrobial adhesive composition for dental uses KURARAY CO (JP) 2002-07-24 CN disclosed
CN-1128138-A Antimicrobial adhesive composition for dental uses KURARAY CO (JP) 1996-08-07 CN disclosed