SCHEMBL6848306

SCHEMBL6848306

COC(=O)c1ccc(C(=O)O)c2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 4/20 0.50
LMNA P02545 2/20 0.50
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 4/20 0.40
GLA P06280 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 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
SCHEMBL6848305 0.93 KDM4E (0.56) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL6852360 0.89 TARBP2 (0.42) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL10792029 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL19621515 0.84 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL17934377 0.84 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL4486453 0.84 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL4467144 0.83 KDM4E (0.73) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL15502345 0.83 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL7402316 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL6852355 0.81 TARBP2 (0.46) KDM4EALDH1A1HSD17B10LMNACA12

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