SCHEMBL6475796

SCHEMBL6475796

CCCCCCCn1cc(O)c(=O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.64
CDC25A P30304 1/20 0.60
ICMT O60725 1/20 0.59
CNR1 P21554 3/20 0.55

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
SCHEMBL168724 0.86 CDC25A (0.59) CNR2CDC25AICMTCNR1
SCHEMBL30417203 0.82 CNR2 (0.79) CNR2CDC25ACNR1
SCHEMBL9796440 0.82 ALDH1A1 (0.53) CNR2
SCHEMBL4082279 0.81 CNR2 (0.81) CNR2CNR1
SCHEMBL6763880 0.80 CNR2 (0.75) CNR2ICMTCNR1
Water SCHEMBL10469548 0.80 CNR2 (0.79) CNR2CNR1
SCHEMBL30417310 0.78 CNR1 (0.72) CNR2CNR1
SCHEMBL27577715 0.78 CNR2 (0.69) CNR2CNR1
SCHEMBL18833434 0.78 CNR1 (0.72) CNR2CNR1
SCHEMBL8363931 0.77 CDC25A (0.59) CNR2CDC25AICMTCNR1

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-1578359-A2 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF The Research Foundation of the State University of New York (US) 2005-09-28 EP claimed
WO-2004016213-A2 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-02-26 WO claimed