SCHEMBL6852360

SCHEMBL6852360

COC(=O)c1ccc(C(=O)O)c2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 7/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL6852355 0.93 TARBP2 (0.46) TARBP2CA12CA1CA2CA7
SCHEMBL6848306 0.89 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL4823719 0.84 TARBP2 (0.41) TARBP2CA12CA1CA2CA7
SCHEMBL5683830 0.83 KDM4E (0.59) TARBP2CA12CA9KDM4EALDH1A1
SCHEMBL10749320 0.83 KDM4E (0.47) TARBP2CA12CA1CA2CA7
SCHEMBL6848305 0.81 KDM4E (0.56) CA12CA1CA2CA7CA9
SCHEMBL506268 0.79 SMN1; SMN2 (0.44) TARBP2KDM4EALDH1A1NPC1RAB9A
SCHEMBL4824144 0.78 SMN1; SMN2 (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL3534783 0.76 TRPA1 (0.49) TARBP2KDM4EALDH1A1NPC1RAB9A
SCHEMBL31055658 0.76 TRPA1 (0.49) TARBP2KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed