SCHEMBL2875466

SCHEMBL2875466

CC1(C)Oc2cc3c(cc2[C@H](OC(N)=O)[C@H]1O)OCC(=O)N3

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
TRPV1 Q8NER1 12/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2878491 0.79 TP53 (0.49) ALDH1A1MAPTPOLBPARP1MEN1
SCHEMBL5988487 0.71 ABCC9 (0.40)
SCHEMBL2880113 0.71 ABCC9 (0.39) ALDH1A1POLBL3MBTL1
SCHEMBL2878493 0.69 TP53 (0.42) TRPV1PARP1
SCHEMBL5988534 0.69 ABCC9 (0.35)
SCHEMBL5989257 0.68 ABCC9 (0.39)
SCHEMBL5990953 0.68 ABCC9 (0.39) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5990959 0.68 ABCC9 (0.39) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL3601136 0.68 TP53 (0.43) TRPV1MAPTPOLBPARP1MEN1
SCHEMBL2009194 0.68 TP53 (0.47) ALDH1A1MAPTPOLBPARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed