SCHEMBL11226564

SCHEMBL11226564

C=C(C)COCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCOCC(=C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
DGKA P23743 1/20 0.48
CES2 O00748 2/20 0.43
DNM1 Q05193 1/20 0.41
TSHR P16473 3/20 0.41
PAM P19021 2/20 0.41
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
EPHX2 P34913 1/20 0.35
PLA2G4B P0C869 1/20 0.35

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
SCHEMBL11219246 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL11230380 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL11232200 0.98 PRSS1 (0.47) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL11225382 0.95 DGKA (0.46) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL11223635 0.89 DGKA (0.52) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL11221476 0.87 TSHR (0.46) PRSS1PRSS2PRSS3CES2TSHR
SCHEMBL21318391 0.85 DGKA (0.47) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL16754908 0.85 DGKA (0.55) PRSS1PRSS2PRSS3DGKADNM1
SCHEMBL21052530 0.84 PRSS1 (0.38) PRSS1PRSS2PRSS3DGKACES2
SCHEMBL21052534 0.84 PRSS1 (0.38) PRSS1PRSS2PRSS3DGKACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US claimed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US claimed
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US disclosed