SCHEMBL12225855

SCHEMBL12225855

CCOC(=O)c1ccc(C(=O)OC)cc1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
HSD17B2 P37059 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL20996786 0.98 KDM4E (0.56) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL11925429 0.95 CA12 (0.56) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL11925424 0.95 CA12 (0.56) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL20996785 0.93 CA12 (0.57) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL27476698 0.92 TSHR (0.51) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL321387 0.91 CA12 (0.62) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL29843135 0.91 CA12 (0.62) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL10626005 0.91 KDM4E (0.51) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL25204328 0.90 CREBBP (0.49) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL28801702 0.87 KDM4E (0.52) TSHRKDM4EALDH1A1CA12CA1

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-20110256474-A1 IMAGING MEMBERS HAVING STRESS/STRAIN FREE LAYERS XEROX CORPORATION (US) 2011-10-20 US disclosed
US-20110256474-A1 IMAGING MEMBERS HAVING STRESS/STRAIN FREE LAYERS XEROX CORPORATION (US) 2011-10-20 US disclosed