SCHEMBL17878211

SCHEMBL17878211

O=C(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SRD5A2 P31213 4/20 0.47
ENPP2 Q13822 1/20 0.44
CA2 P00918 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA1 P00915 3/20 0.42
CA4 P22748 1/20 0.42
TNKS O95271 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10704760 0.97 SRD5A2 (0.50) POLBSRD5A2ENPP2CA2MAOA
SCHEMBL7822013 0.91 SRD5A2 (0.61) POLBSRD5A2ENPP2CA2CA12
SCHEMBL27356295 0.87 CA12 (0.50) SRD5A2CA2CA12CA7CA1
SCHEMBL31065558 0.86 SRD5A2 (0.53) POLBSRD5A2CA2MAOAMAOB
SCHEMBL9008360 0.86 SRD5A2 (0.53) POLBSRD5A2CA2MAOAMAOB
SCHEMBL169521 0.85 CA12 (0.51) ENPP2CA2CA12CA7CA1
SCHEMBL1501398 0.85 MAOA (0.56) POLBMAOAMAOBMAPTTDP1
SCHEMBL84254 0.85 MAOA (0.56) POLBMAOAMAOBMAPTTDP1
SCHEMBL30970619 0.85 MAOA (0.56) POLBMAOAMAOBMAPTTDP1
SCHEMBL9601824 0.84 MAOA (0.44) POLBCA2MAOAMAOBCA12

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-9845380-B2 Ionic polyimide materials and methods of use THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-12-19 US disclosed
US-9845380-B2 Ionic polyimide materials and methods of use THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-12-19 US disclosed
US-20160185909-A1 IONIC POLYIMIDE MATERIALS AND METHODS OF USE NATIONAL SCIENCE FOUNDATION 2016-06-30 US disclosed
US-20160185909-A1 IONIC POLYIMIDE MATERIALS AND METHODS OF USE NATIONAL SCIENCE FOUNDATION 2016-06-30 US disclosed