SCHEMBL6741532

SCHEMBL6741532

O=C(O)C(O)c1ccc2c(c1)OOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK9 P45984 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10941413 0.82 TDP1 (0.51) LMNABLMPTGS1PTGS2KMT2A
SCHEMBL70197 0.74 LMNA (0.35) LMNANPSR1PTGS1PTGS2KMT2A
SCHEMBL11159660 0.74 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL9436977 0.73 AOC3 (0.43) PTGS1PTGS2KMT2AMEN1
SCHEMBL11215650 0.73 ALDH1A1 (0.50) MAPK1BLMTSHRPTGS2KMT2A
SCHEMBL4510613 0.71 MAPK9 (0.56) MAPK1PTGS1PTGS2KMT2APOLB
SCHEMBL29785806 0.71 MAPK9 (0.56) MAPK1PTGS1PTGS2KMT2APOLB
SCHEMBL22722996 0.71 MAPK9 (0.56) MAPK1PTGS1PTGS2KMT2APOLB
SCHEMBL11964253 0.71 PTGS1 (0.68) LMNAMAPK1NPSR1TSHRPTGS1
SCHEMBL1154990 0.71 MAPK9 (0.56) MAPK1PTGS1PTGS2KMT2APOLB

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-6686482-B2 Process for preparing piperonal UBE INDUSTRIES, LTD. (JP) 2004-02-03 US disclosed
US-20030013897-A1 Process for preparing piperonal UBE INDUSTRIES, LTD. (JP) 2003-01-16 US disclosed