SCHEMBL8945658

SCHEMBL8945658

N#COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC#N)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
PARP10 Q53GL7 1/20 0.50
PRSS1 P07477 5/20 0.49
F2 P00734 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HGFAC Q04756 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACR P10323 3/20 0.42

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
SCHEMBL8625083 1.00 HSD17B10 (0.52) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL11849188 0.93 PARP10 (0.57) HSD17B10PARP10PRSS1KMT2AMEN1
SCHEMBL30726925 0.93 PARP10 (0.49) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL28367645 0.91 ALDH1A1 (0.52) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL29091923 0.91 ALDH1A1 (0.52) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL28679842 0.91 KMT2A (0.59) HSD17B10PARP10KMT2AMEN1MAPT
SCHEMBL30605853 0.86 ALDH1A1 (0.51) HSD17B10PARP10PRSS1F2KMT2A
SCHEMBL25873139 0.86 PRSS1 (0.49) HSD17B10PRSS1F2PRSS2PRSS3
SCHEMBL13422364 0.84 HSD17B10 (0.39) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL9944154 0.82 CA1 (0.62) KMT2AMEN1MAPTTDP1HGFAC

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-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
EP-0667876-A1 ANISOTROPIC POLYMERS AND METHOD OF PRODUCING THEM EUROPÄISCHE WIRTSCHAFTSGEMEINSCHAFT (E.W.G.) (LU) 1995-08-23 EP disclosed
WO-1995007308-A1 ANISOTROPIC POLYMERS AND METHOD OF PRODUCING THEM EUROPÄISCHE WIRTSCHAFTSGEMEINSCHAFT (LU) 1995-03-16 WO disclosed