SCHEMBL11226568

SCHEMBL11226568

C=C(C)C(=O)OCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCOC(=O)C(=C)C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
DGKA P23743 1/20 0.52
THRB P10828 1/20 0.48
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
DNM1 Q05193 1/20 0.43
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PAM P19021 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14907540 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11230384 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11219249 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12938676 0.98 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2532711 0.98 TSHR (0.63) TSHRPOLBAPEX1HTTTDP1
SCHEMBL275245 0.94 DGKA (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2528754 0.94 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14112999 0.93 TSHR (0.74) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1087520 0.93 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22468664 0.93 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1

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