SCHEMBL5072049

SCHEMBL5072049

CCCCN([C]=O)C(=O)NCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
MCL1 Q07820 1/20 0.36
DNM1 Q05193 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
EPHX2 P34913 2/20 0.33
CNR1 P21554 1/20 0.33
PAOX Q6QHF9 1/20 0.32
CASP2 P42575 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL7684377 0.87 EPHX1 (0.47) EPHX1DNM1EPHX2CASP2
SCHEMBL7064442 0.85 EPHX1 (0.42) EPHX1DNM1MMP2MMP1CASP2
SCHEMBL29055799 0.80 FAAH (0.44) EPHX1DNM1EPHX2CASP2
SCHEMBL6830439 0.76 MEN1 (0.42) EPHX1CA12CA1CA9MMP2
SCHEMBL18531295 0.76 CA12 (0.48) EPHX1MCL1DNM1CA12CA1
SCHEMBL7674452 0.76 FAAH (0.50) DNM1EPHX2CNR1
SCHEMBL11221492 0.75 ZDHHC20 (0.47) EPHX1EPHX2CASP2
SCHEMBL6109959 0.75 ALDH1A1 (0.36) MCL1CA12CA9MMP2MMP1
SCHEMBL965005 0.74 EPHX1 (0.39) EPHX1DNM1EPHX2
SCHEMBL1400993 0.74 CA12 (0.40) CA12CA1CA9MMP2MMP1

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-1931352-A2 TLR AGONISTS The Regents of the University of California Office of Technology Transfer (US) 2008-06-18 EP disclosed
WO-2007024707-A2 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 WO disclosed