SCHEMBL11221476

SCHEMBL11221476

C=C(C)COCCCCCCOC(=O)CC(=O)OCCCCCCOCC(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CES2 O00748 2/20 0.44
FAAH O00519 2/20 0.42
NAAA Q02083 1/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX1 P07099 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
SCHEMBL11226564 0.87 PRSS1 (0.50) TSHRCES2NAAAPRSS1PRSS2
SCHEMBL10783705 0.87 CES2 (0.39) TSHRCES2FAAHNAAATDP1
SCHEMBL11219246 0.87 PRSS1 (0.50) TSHRCES2NAAAPRSS1PRSS2
SCHEMBL11230380 0.87 PRSS1 (0.50) TSHRCES2NAAAPRSS1PRSS2
SCHEMBL11232200 0.85 PRSS1 (0.47) TSHRCES2NAAAPRSS1PRSS2
SCHEMBL1366701 0.82 CES2 (0.39) TSHRCES2FAAHNAAAPOLB
SCHEMBL11225382 0.81 DGKA (0.46) TSHRCES2NAAAPRSS1PRSS2
SCHEMBL1367356 0.80 CES2 (0.36) TSHRCES2NAAAPOLBAPEX1
SCHEMBL871697 0.79 CES2 (0.44) TSHRCES2HTTTDP1THRB
SCHEMBL1228575 0.79 MGAM (0.41) TSHRCES2TDP1MGAMGAA

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 5 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-4297099-A BY PENETRATION AND CROSSLINKING DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-10-27 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