SCHEMBL7856743

SCHEMBL7856743

C=C(C)C(=O)OCNCCCC.C=CC(=O)N(C=CC(=O)O)CCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ZDHHC20 Q5W0Z9 4/20 0.34
ZDHHC2 Q9UIJ5 2/20 0.34
HCAR2 Q8TDS4 2/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL7743464 0.91 TSHR (0.43) TSHRZDHHC20ZDHHC2HCAR2PTPN1
SCHEMBL169788 0.91 TSHR (0.43) TSHRZDHHC20ZDHHC2HCAR2PTPN1
Methacrylic Acid SCHEMBL2489830 0.82 ZDHHC20 (0.43) TSHRZDHHC20ZDHHC2HCAR2PTPN1
SCHEMBL8415349 0.81 TSHR (0.42) TSHRZDHHC20ZDHHC2HCAR2
SCHEMBL527984 0.80 ZDHHC20 (0.33) ZDHHC20ZDHHC2HCAR2PTPN1
SCHEMBL1758577 0.80 ZDHHC20 (0.48) TSHRZDHHC20ZDHHC2HCAR2PTPN1
SCHEMBL10347586 0.80 ZDHHC20 (0.48) TSHRZDHHC20ZDHHC2HCAR2PTPN1
SCHEMBL5692022 0.80 ZDHHC20 (0.36) ZDHHC20ZDHHC2
SCHEMBL11250533 0.75 ZDHHC20 (0.40) TSHRZDHHC20ZDHHC2HCAR2PTPN1
SCHEMBL22805669 0.75 TSHR (0.55) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207176-B1 STARCH ON BACKING NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-03-27 US disclosed