SCHEMBL5677227

SCHEMBL5677227

CC1(O)C=CC(C(=O)c2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
HBB P68871 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPA1 O75762 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2470208 0.87 EPHX1 (0.43) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL136598 0.85 MAPT (0.41) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL7420069 0.84 HTT (0.40) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL528381 0.83 MAPT (0.40) CES2CES1HTTSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8844129 0.82 HTT (0.39) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL4035521 0.81 ALDH1A1 (0.39) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL4959086 0.81 CES1 (0.39) CES2CES1HTTMAPTALOX15
SCHEMBL3643052 0.81 TSHR (0.40) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL10702918 0.81 HTT (0.41) CES2CES1HTTSMN1; SMN2MAPT
SCHEMBL337965 0.80 TSHR (0.38) CES2CES1HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805133-A Aryl chloroformate preparation method 苏州星日化学有限公司 2022-07-29 CN disclosed
EP-1534531-A4 PRODUCT AUTHENTICATION APPLETON PAPER INC (US) 2006-09-13 EP disclosed
US-6939826-B2 Package, comprising a data storage device, packaging material, and an authentication system APPLETON PAPERS, INC. (US) 2005-09-06 US disclosed
EP-1534531-A1 PRODUCT AUTHENTICATION Appleton Papers Inc. (US) 2005-06-01 EP disclosed
US-20050023821-A1 Product authentication APPLETON PAPERS INC. (US) 2005-02-03 US disclosed
WO-2004000570-A1 PRODUCT AUTHENTICATION APPLETON PAPERS INC. (US) 2003-12-31 WO disclosed
US-20030236165-A1 Package, comprising a data storage device, packaging material, and an authentication system APPLETON PAPERS INC. 2003-12-25 US disclosed
EP-0319283-A2 Thermally responsive record material APPLETON PAPERS INC. (US) 1989-06-07 EP disclosed