SCHEMBL8340736

SCHEMBL8340736

Cc1c(C)c2c(c(C)c1O)C=CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAOB P27338 2/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL9531441 0.91 PTGS2 (0.42) PTGS2MAPTL3MBTL1CRHBPCRHR2
SCHEMBL8490863 0.84 KMT2A (0.39) PTGS2MAPTL3MBTL1CRHBPCRHR2
SCHEMBL9534866 0.76 PTGS2 (0.39) PTGS2MAPTL3MBTL1CRHBPCRHR2
SCHEMBL9632107 0.74 MAPT (0.60) PTGS2MAPTKMT2AMEN1
SCHEMBL8980424 0.73 KMT2A (0.44) PTGS2MAPTL3MBTL1CRHBPCRHR2
SCHEMBL9533583 0.72 TLR3 (0.43) PTGS2MAPTL3MBTL1CTDSP1KMT2A
SCHEMBL10641737 0.72 MAPT (0.47) PTGS2MAPTCRHBPCRHR2KMT2A
SCHEMBL10638977 0.72 MAPT (0.45) PTGS2MAPTKMT2AGAAMEN1
SCHEMBL9632315 0.71 KMT2A (0.42) MAPTL3MBTL1CRHBPCRHR2KMT2A
SCHEMBL8490238 0.70 PTGS1 (0.32) PTGS2MAPTKMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670300-B1 Process for the preparation of allyl quinone derivatives, and intermediates EISAI CO LTD (JP) 1999-06-23 EP disclosed
US-5874611-A Butenyl hydroquinone derivatives EISAI CHEMICAL CO., LTD. (JP) 1999-02-23 US disclosed
WO-1999006392-A1 METHOD FOR PREPARING 2H-1 BENZOPYRANES AND SYNTHESIS INTERMEDIATES RHODIA CHIMIE (FR) 1999-02-11 WO disclosed
US-5565586-A Oxidative process for the preparation of allyl quinone derivatives EISAI CHEMICAL CO., LTD. (JP) 1996-10-15 US disclosed
EP-0670300-A2 Process for the preparation of allyl quinone derivatives, and intermediates EISAI CHEMICAL CO., LTD. (JP) 1995-09-06 EP disclosed