SCHEMBL6865012

SCHEMBL6865012

C=COC(CCC)OC(=O)c1ccc(C(=O)O)cc1C(CCC)OC=C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
ACE2 Q9BYF1 2/20 0.32
TRPC1 P48995 1/20 0.31
TRPC3 Q13507 1/20 0.31
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL2192158 0.79 KMT2A (0.42) MAPTALDH1A1PRKCAPRKCDTP53
SCHEMBL4640184 0.78 TAS1R3 (0.40) MAPTTSHRALDH1A1MAPK1TAS1R3
SCHEMBL4905644 0.77 ALDH1A1 (0.39) ALDH1A1TRPC1TRPC3STIM1ORAI1
SCHEMBL28818174 0.75 ALDH1A1 (0.45) TSHRALDH1A1MAPK1KDM4ETP53
SCHEMBL12965759 0.75 PRKCA (0.50) MAPTTSHRALDH1A1MAPK1KDM4E
SCHEMBL11699744 0.74 KDM4E (0.44) TSHRALDH1A1MAPK1ACE2KDM4E
SCHEMBL1638386 0.74 LMNA (0.45) MAPTTSHRALDH1A1POLBPRKCA
SCHEMBL2593871 0.71 TAS1R3 (0.36) TSHRALDH1A1KDM4EPOLBTAS1R3
SCHEMBL1638457 0.71 KMT2A (0.40) MAPTTSHRALDH1A1KDM4EPOLB
SCHEMBL28948581 0.69 SLC37A4 (0.35)

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
US-6777027-B2 BLEND OF CATIONIC CURABLE RESIN, CATIONIC PHOTOINITIATOR, FREE RADICAL CURABLE RESIN, FREE RADICAL PHOTOINITIATOR; FUSING WITH HEAT AND CURING ROHM AND HAAS COMPANY 2004-08-17 US disclosed
US-20040067304-A1 Blend of a free radical curable resin, a cationic curable resin, a free radical photoinitiator and a cationic photoinitiator ROHM AND HAAS COMPANY 2004-04-08 US disclosed