SCHEMBL2875707

SCHEMBL2875707

CC(=CC(=CCCN)C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
PARP1 P09874 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
GABRR1 P24046 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
SCHEMBL4740580 0.83 GABRR1 (0.41) CYP2C9PARP1PARP15PARP10GABRR1
SCHEMBL8743386 0.82 CYP2C9 (0.33) CYP2C9KDM4EATM
SCHEMBL10875230 0.82 GRIK1 (0.38) CYP2C9KDM4EATM
SCHEMBL525118 0.81
SCHEMBL19731 0.81
Hydrochloric Acid SCHEMBL718264 0.79 CD81 (0.39) KDM4EATMGABRR1
Hydrochloric Acid SCHEMBL966553 0.79 CD81 (0.39) KDM4EATMGABRR1
Bromide SCHEMBL10351105 0.79 CD81 (0.39) KDM4EATMGABRR1
SCHEMBL7610966 0.78 EP300 (0.33) CYP2C9
SCHEMBL1659416 0.78 EP300 (0.46) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842164-B2 Paper and materials and processes for its production AMCOL INTERNATIONAL CORPORATION (US) 2010-11-30 US disclosed
US-20080289787-A1 Paper and Materials and Processes for Its Production AMCOL INTERNATIONAL CORPORATION (US) 2008-11-27 US disclosed
US-20050124704-A1 Paper and materials and processes for its production AMCOL INTERNATIONAL CORPORATION 2005-06-09 US disclosed