SCHEMBL13769010

SCHEMBL13769010

Cc1cc2cc(-c3ccc4oc(=O)c(C)cc4c3)ccc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ HSD17B3 P37058 1/20 0.53
▸ DYRK1A Q13627 1/20 0.51
▸ MAOA P21397 3/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ PGR P06401 4/20 0.44

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
SCHEMBL31558612 0.84 MAOB (0.64) MAOBADORA3HSD17B3MAOACA12
SCHEMBL8344553 0.84 MAOB (0.64) MAOBADORA3HSD17B3MAOACA12
SCHEMBL10791744 0.81 HSD17B3 (0.74) MAOBHSD17B3DYRK1AMAOACA12
SCHEMBL28994275 0.81 CA12 (0.57) MAOBADORA3HSD17B3SLC6A2SLC6A4
SCHEMBL266449 0.81 MAOA (0.61) MAOBHSD17B3MAOACA12CA1
SCHEMBL16284310 0.81 NPC1 (0.57) MAOBADORA3HSD17B3MAOASLC6A2
SCHEMBL15842923 0.79 HSD17B3 (0.60) MAOBADORA3HSD17B3SLC6A2SLC6A4
SCHEMBL16284307 0.78 SLC16A3 (0.48) MAOBADORA3HSD17B3SLC6A2SLC6A4
SCHEMBL10263015 0.78 HSD17B3 (0.47) MAOBADORA3HSD17B3MAOASLC6A2
SCHEMBL31202673 0.78 ADAM17 (0.52) MAOBADORA3HSD17B3MAOASLC6A2

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-1709699-B1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2009-07-01 — — EP disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 — — US disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 — — US disclosed
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