SCHEMBL8945637

SCHEMBL8945637

Cc1cc(OC(=O)c2ccc(N=C=O)cc2)ccc1OC(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.44
ACR P10323 6/20 0.44
F2 P00734 3/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HGFAC Q04756 4/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TMPRSS2 O15393 1/20 0.40
MLNR O43193 1/20 0.40
C1R P00736 1/20 0.40

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
SCHEMBL10536307 0.86 TRPA1 (0.45) PRSS1ACRF2PRSS2PRSS3
SCHEMBL9777755 0.82 PRSS1 (0.59) PRSS1ACRF2PRSS2PRSS3
SCHEMBL8945764 0.82 PRSS1 (0.59) PRSS1ACRF2PRSS2PRSS3
SCHEMBL1404357 0.82 PRSS1 (0.59) PRSS1ACRF2PRSS2PRSS3
SCHEMBL14016851 0.81 KMT2A (0.58) PRSS1ACRMAPTKDM4EPOLB
SCHEMBL10042169 0.80 KMT2A (0.61) PRSS1ACRMAPTPOLBKMT2A
SCHEMBL31086840 0.80 KDM4E (0.48) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL496061 0.80 KDM4E (0.48) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL14405887 0.79 MAPT (0.45) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL8623449 0.79 MAPT (0.45) MAPTKDM4EPOLBMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569727-A REACTING A DIEPOXIDE WITH A DIISOCYANATE IN PRESENCE OF POLYMERIZATION CATALYST WHICH IS A COMPLEX OF LEWIS ACID AND LEWIS BASE AND BAKING EUROPEAISCHE WIRTSCHAFTSGEMEINSCHAFT (LU) 1996-10-29 US disclosed