SCHEMBL9489307

SCHEMBL9489307

C=CC(COCc1ccccc1)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
TACR1 P25103 3/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
SLC1A1 P43005 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL9489310 1.00 HTT (0.49) HTTCA1CA2CA7CA9
SCHEMBL9489505 1.00 HTT (0.49) HTTCA1CA2CA7CA9
SCHEMBL8419725 0.86 CA1 (0.51) HTTCA1CA2CA7CA9
SCHEMBL11447748 0.84 CA1 (0.50) HTTCA1CA2CA7CA9
SCHEMBL28589417 0.83 HTT (0.49) HTTCA1CA2CA7CA9
SCHEMBL28589416 0.83 HTT (0.49) HTTCA1CA2CA7CA9
SCHEMBL2619960 0.82 HTT (0.47) HTTCA1CA2CA7CA9
SCHEMBL8059538 0.80 KMT2A (0.48) HTTCA1CA2CA7CA9
SCHEMBL2074009 0.80 ALDH1A1 (0.47) HTTCA1CA2CA7CA9
SCHEMBL8030875 0.79 CA1 (0.51) HTTCA1CA2CA7CA9

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
EP-1195393-B1 Process for preparing ethylene interpolymers and ethylene interpolymers obtained therefrom WESTLAKE LONGVIEW CORP (US) 2010-04-07 EP disclosed
US-5250743-A Reacting in acidic medium acyclic vinyl epoxide with water and/or alcohol to form inverted 1,2-dihydroxy-3-alkene or 1-hydroxy-2-alkoxy-3-alkene EASTMAN KODAK COMPANY (US) 1993-10-05 US disclosed