SCHEMBL4752350

SCHEMBL4752350

CC(=O)Oc1ccc(C2=C(c3ccc(OC=S)cc3)C(=O)OC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.63
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 6/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAPDH P04406 1/20 0.42
PREP P48147 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAOB P27338 1/20 0.40
HSP90AA1 P07900 1/20 0.39
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 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
SCHEMBL4787548 0.82 PTGS2 (0.60) PTGS2LMNAGAAMAPTKMT2A
SCHEMBL4752018 0.82 PTGS2 (0.49) PTGS2LMNAMAPTKMT2ATDP1
SCHEMBL4752038 0.77 PTGS2 (1.00) PTGS2MAPTPOLBPREPALDH1A1
SCHEMBL9158246 0.70 HSD17B10 (0.76) PTGS2LMNAGAAMAPTKMT2A
SCHEMBL329365 0.70 HSD17B10 (0.76) PTGS2LMNAGAAMAPTKMT2A
SCHEMBL12195468 0.70 HSD17B10 (0.59) PTGS2LMNAGAAMAPTKMT2A
SCHEMBL4960001 0.69 LMNA (0.71) PTGS2LMNAGAAMAPTKMT2A
Water SCHEMBL9344643 0.68 HSD17B10 (0.73) PTGS2LMNAGAAMAPTKMT2A
SCHEMBL269329 0.68 LMNA (0.80) LMNAGAAMAPTKMT2APOLB
SCHEMBL8374456 0.67 LMNA (0.59) LMNAGAAMAPTKMT2APOLB

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
WO-2008140251-A2 CYCLOOXYGENASE-2 INHIBITORS UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2008-11-20 WO disclosed