SCHEMBL6852355

SCHEMBL6852355

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL6852360 0.93 TARBP2 (0.42) TARBP2CA12CA1CA2CA7
SCHEMBL4823719 0.91 TARBP2 (0.41) TARBP2CA12CA1CA2CA7
SCHEMBL5683830 0.89 KDM4E (0.59) TARBP2CA12CA9LMNATSHR
SCHEMBL10749320 0.89 KDM4E (0.47) TARBP2CA12CA1CA2CA7
SCHEMBL6848305 0.88 KDM4E (0.56) CA12CA1CA2CA7CA9
SCHEMBL506268 0.85 SMN1; SMN2 (0.44) TARBP2LMNATSHRKDM4EALDH1A1
SCHEMBL31055658 0.82 TRPA1 (0.49) TARBP2LMNATSHRKDM4EALDH1A1
SCHEMBL3534783 0.82 TRPA1 (0.49) TARBP2LMNATSHRKDM4EALDH1A1
SCHEMBL6848306 0.81 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL3798798 0.81 ALDH1A1 (0.45) TARBP2LMNATSHRKDM4EALDH1A1

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