SCHEMBL7899162

SCHEMBL7899162

CCN[C@@H](Cc1ccc(O)c(C(=O)OC)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ FOLH1 Q04609 3/20 0.44
▸ LCK P06239 1/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ EGFR P00533 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MME P08473 1/20 0.40

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
SCHEMBL5207224 0.86 FOLH1 (0.46) CA2CA1FOLH1LCKPTGS2
SCHEMBL7263059 0.86 CA2 (0.50) CA2CA12CA1CA7CA9
Hydrochloric Acid SCHEMBL7262922 0.85 CA2 (0.49) CA2CA12CA1CA7CA9
SCHEMBL7433937 0.83 KDM6B (0.57) CA2CA1MAPTFOLH1LCK
SCHEMBL22364281 0.83 KDM6B (0.57) CA2CA1MAPTFOLH1LCK
SCHEMBL29700186 0.83 KDM6B (0.57) CA2CA1MAPTFOLH1LCK
SCHEMBL8080032 0.79 MAPT (0.64) CA2CA12CA1CA7CA9
SCHEMBL646876 0.78 CA12 (0.65) CA2CA12CA1CA7CA9
SCHEMBL1287829 0.75 FOLH1 (0.61) FOLH1MMEACE
SCHEMBL547121 0.75 FOLH1 (0.61) FOLH1MMEACE

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-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 — — US disclosed
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