SCHEMBL8087793

SCHEMBL8087793

[CH2]c1c(OC(C)=O)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
ADK P55263 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.54
PBRM1 Q86U86 1/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NR4A2 P43354 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6471859 0.81 GSK3B (0.59) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL8087797 0.81 GSK3B (0.63) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL28112445 0.79 GSK3B (0.57) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL6526599 0.78 GSK3B (0.56) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL7459854 0.78 KDM4E (0.58) GSK3BADKSLC22A6KMT2AHPGD
SCHEMBL27552210 0.76 GSK3B (0.54) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL13689695 0.75 USP2 (0.53) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL27803171 0.72 NR4A2 (0.55) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL11667064 0.72 GSK3B (0.54) GSK3BADKSLC22A6KMT2AUSP2
SCHEMBL27898909 0.72 ALOX5 (0.54) GSK3BADKKMT2AHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed