SCHEMBL12866132

SCHEMBL12866132

CCC1C(=O)OC(=O)C1C(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.44
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.34
PLA2G6 O60733 2/20 0.32
PLA2G4A P47712 1/20 0.32
POLB P06746 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
SCHEMBL1083705 0.83 CYP2C9 (0.42) CYP2C9ALDH1A1MEN1KMT2ALMNA
SCHEMBL10060202 0.83 CYP2C9 (0.42) CYP2C9ALDH1A1MEN1KMT2ALMNA
SCHEMBL10060203 0.83 CYP2C9 (0.42) CYP2C9ALDH1A1MEN1KMT2ALMNA
SCHEMBL17695636 0.79 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAPLA2G6PLA2G4A
SCHEMBL24064823 0.78 CYP2C9 (0.36) CYP2C9ALDH1A1
SCHEMBL21013542 0.76 CYP2C9 (0.35) CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL13962434 0.76 CYP2C9 (0.40) CYP2C9ALDH1A1MEN1KMT2ALMNA
SCHEMBL13840881 0.75 TAAR1 (0.43) CYP2C9ALDH1A1MEN1KMT2ALMNA
SCHEMBL12426831 0.75 LMNA (0.36) CYP2C9ALDH1A1MEN1KMT2ALMNA
SCHEMBL20182077 0.73 TAAR1 (0.39) CYP2C9ALDH1A1MEN1KMT2A

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-7884174-B2 condensation of appropriate anhydrides with appropriate diamines to give amine terminated compounds, then condensed with excess maleic anhydride to yield imide-extended maleimide compounds DESIGNER MOLECULES, INC. (US) 2011-02-08 US disclosed
US-20080075961-A1 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. 2008-03-27 US disclosed