SCHEMBL8558720

SCHEMBL8558720

C=CN(C=O)CCC(=O)OCCCCCCOC(=O)CCN(C=C)C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
DNM1 Q05193 1/20 0.37
HTR2C P28335 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
HTT P42858 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL8560839 0.98 TSHR (0.38) TSHRALDH1A1CYP3A4DNM1HTR2C
SCHEMBL8559074 0.91 DGKA (0.34) TSHRALDH1A1DNM1DGKAMAPT
SCHEMBL8749111 0.89 TSHR (0.46) TSHRALDH1A1DNM1HTR2CNAAA
SCHEMBL8590382 0.86 TSHR (0.41) TSHRDNM1
SCHEMBL9976373 0.85
SCHEMBL5709243 0.84
SCHEMBL8749132 0.83 DNM1 (0.49) ALDH1A1CYP3A4DNM1MAPTNPSR1
Potassium Ion SCHEMBL6405216 0.82 MEN1 (0.31) ALDH1A1MAPTL3MBTL1
SCHEMBL7070145 0.81 CYP1A2 (0.40) TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL8665088 0.81 TSHR (0.46) TSHRALDH1A1CYP3A4MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712411-A N-vinylformamidopropionates and process for their synthesis AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-01-27 US disclosed
EP-0779272-A1 N-Vinylformamidopropionates, process for their synthesis and their use as chain extenders and crosslinking agents AIR PRODUCTS AND CHEMICALS, INC. (US) 1997-06-18 EP disclosed