SCHEMBL8935094

SCHEMBL8935094

NC(=O)[C@@H](N)CCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
KDM4E B2RXH2 3/20 0.43
PLAA Q9Y263 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
PTGS2 P35354 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
ALPG P10696 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPI P09923 2/20 0.42
RECQL P46063 2/20 0.42
DBH P09172 1/20 0.42

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
SCHEMBL2912668 0.86 ESR1 (0.40) KDM4EL3MBTL1PTGS2POLBMAPT
SCHEMBL7776281 0.81 NPC1 (0.55) KDM4EL3MBTL1GAAPOLBALPG
SCHEMBL7094986 0.77 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL7094989 0.77 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL31556197 0.75 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7523284 0.74 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL2989544 0.73 ALPG (0.61) CA12CA1CA2CA7CA9
SCHEMBL31556191 0.73 L3MBTL1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL10352002 0.72 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5681582 0.72 HSD17B3 (0.62) CA12CA1CA2CA7CA9

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-5538752-A APPLYING PRESERVATIVES TO PLANTS TO INHIBIT DECAY REGENTS OF THE UNIV. OF MINNESOTA (US) 1996-07-23 US disclosed
EP-0363792-B1 Melanin production BIOSOURCE GENETICS CORP (US) 1995-01-18 EP disclosed