SCHEMBL9738660

SCHEMBL9738660

[c]1ccc2c(c1-c1ccc3c(c1)OCO3)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
PTPRC P08575 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX5 P09917 2/20 0.38

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
SCHEMBL15377351 0.92 ALOX5 (0.45) KDM4ELMNACA12CA2CA9
SCHEMBL161183 0.82 ABCG2 (0.39) ALDH1A1HSD17B10TDP1CYP3A4GSK3B
SCHEMBL8638641 0.80 MAPT (0.39) KDM4ELMNAALDH1A1HSD17B10PTGS2
SCHEMBL8212957 0.79 ABCG2 (0.40) KDM4EPTGS2SMN1; SMN2NPC1MAPT
SCHEMBL6210971 0.79 PDE4A (0.41) LMNAALDH1A1CYP3A4NPC1MAPT
SCHEMBL6784931 0.79 HSP90AA1 (0.30)
SCHEMBL11709917 0.78 KDM4E (0.42) KDM4ELMNACA12CA2CA9
SCHEMBL9740282 0.77 RIPK3 (0.37) KDM4ELMNAALDH1A1HSD17B10CYP3A4
SCHEMBL4009084 0.75 NPC1 (0.47) KDM4ELMNAALDH1A1HSD17B10PTGS2
SCHEMBL11571390 0.75 PREP (0.43) LMNAALDH1A1HSD17B10PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed