SCHEMBL6881641

SCHEMBL6881641

CC(=O)Oc1cccc(C=CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.52
▸ CYP3A4 P08684 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALOX5 P09917 1/20 0.49
▸ ALOX5AP P20292 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ TTR P02766 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL6881643 1.00 BCHE (0.52) BCHECYP3A4LMNAALOX5ALOX5AP
SCHEMBL16167358 0.88 CYP3A4 (0.51) BCHECYP3A4LMNAALOX5ALOX5AP
SCHEMBL16167352 0.88 CYP3A4 (0.51) BCHECYP3A4LMNAALOX5ALOX5AP
SCHEMBL28424635 0.85 KDM4E (0.50) BCHECYP3A4LMNAALOX5ALOX5AP
SCHEMBL8036935 0.84 LMNA (0.55) BCHECYP3A4LMNAMAPTMEN1
SCHEMBL8036937 0.84 LMNA (0.55) BCHECYP3A4LMNAMAPTMEN1
SCHEMBL23343707 0.82 CYP3A4 (0.56) BCHECYP3A4LMNAALOX5MAPT
SCHEMBL716895 0.82 KMT2A (0.60) BCHECYP3A4LMNAALOX5ALOX5AP
SCHEMBL716894 0.82 KMT2A (0.60) BCHECYP3A4LMNAALOX5ALOX5AP
SCHEMBL27518862 0.82 CYP3A4 (0.56) BCHECYP3A4LMNAMAPTMEN1

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
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 — — US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 — — EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 — — US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 — — EP disclosed
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