SCHEMBL4245984

SCHEMBL4245984

CCCCCCCCCCCCCCC(C)(C=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
EPHX2 P34913 2/20 0.41
PKM P14618 1/20 0.41
CSNK1E P49674 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
DNM1 Q05193 2/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CETP P11597 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6796742 1.00 CTSK (0.43) CTSKMMP1MMP9MMP13EPHX2
SCHEMBL28357907 0.98 CTSK (0.44) CTSKMMP1MMP9MMP13EPHX2
SCHEMBL624141 0.93 CTSK (0.45) CTSKMMP1MMP9MMP13EPHX2
SCHEMBL3367884 0.86 SLC6A2 (0.44) CTSKMMP1MMP9MMP13CTSL
SCHEMBL28416740 0.80 TAAR1 (0.52) CTSKSLC6A2TAAR1MEN1TP53
SCHEMBL16100739 0.80 NPC1 (0.41) CTSKMMP1MMP9MMP13PKM
SCHEMBL6798782 0.79 EPHX2 (0.41) CTSKMMP1MMP9MMP13EPHX2
SCHEMBL6792841 0.79 SLC6A2 (0.47) CTSKCTSLCTSBSLC6A2TAAR1
SCHEMBL28500033 0.79 SIGMAR1 (0.45) CTSKSIGMAR1CETPSMN1; SMN2
SCHEMBL5527669 0.78 CTSK (0.34) CTSKCTSLCTSBSLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723180-B1 ENVIRONMENTALLY FRIENDLY COATING COMPOSITIONS FOR COATING METAL OBJECTS, COATED OBJECTS THEREFROM, AND METHODS, PROCESSES AND ASSEMBLAGES FOR COATING THEREOF ECOLOGY COATING INC (US) 2009-05-13 EP claimed
EP-0683174-B1 Thioether containing photopolymerizable compositions EASTMAN KODAK CO (US) 1998-08-05 EP claimed
EP-0054942-B1 ADHESIVES FOR BONDING OPTICAL ELEMENTS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1986-03-05 EP claimed
WO-2017213025-A1 PHOTO-CURABLE RESIN COMPOSITION, AND IMAGE DISPLAY DEVICE AND PRODUCTION METHOD THEREFOR デクセリアルズ株式会社 2017-12-14 WO disclosed
WO-2016170771-A1 COMPOSITION FOR FORMING ORGANIC-INORGANIC COMPOSITE 日本曹達株式会社 2016-10-27 WO disclosed