SCHEMBL8945764

SCHEMBL8945764

O=C=Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N=C=O)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.59
F2 P00734 4/20 0.59
PRSS2 P07478 4/20 0.59
PRSS3 P35030 4/20 0.59
HGFAC Q04756 3/20 0.54
ACR P10323 9/20 0.51
TMPRSS15 P98073 1/20 0.50
HSD17B10 Q99714 1/20 0.48
PLG P00747 1/20 0.48
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL1404357 1.00 PRSS1 (0.59) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL9777755 1.00 PRSS1 (0.59) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL4044411 0.91 PARP10 (0.56) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL25873139 0.89 PRSS1 (0.49) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL22419402 0.89 PRSS1 (0.49) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL9777791 0.86 KMT2A (0.46) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL7336443 0.84 PRSS1 (0.43) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL16270514 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL8945637 0.82 PRSS1 (0.44) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL10536307 0.82 TRPA1 (0.45) PRSS1F2PRSS2PRSS3HGFAC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307757-A2 Process for the production of polyurethanes with LC-properties and diisocyanates suitable for carrying out this process BAYER AG (DE) 1989-03-22 EP claimed
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
US-5008447-A Process for the preparation of polyurethanes with liquid crystal properties and diisocyanates suitable for carrying out the process BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4895920-A ISOCYANATES WITH AT LEAST TWO PHENYLENE GROUPS AND AT LEAST TWO ESTER GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1990-01-23 US disclosed
EP-0307757-A2 Process for the production of polyurethanes with LC-properties and diisocyanates suitable for carrying out this process BAYER AG (DE) 1989-03-22 EP disclosed