SCHEMBL19084203

SCHEMBL19084203

O=C(O)c1ccc(N2C(=O)C=CC2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.53
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SCN2A Q99250 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23616010 0.85 KMT2A (0.49) DDAH1CA1CA2TSHRALDH1A1
SCHEMBL24939792 0.79 ALDH1A1 (0.43) TP53TSHRALDH1A1KDM4EHPGD
SCHEMBL23094941 0.79 MGLL (0.56) DDAH1ALDH1A1HPGDKMT2ATDP1
SCHEMBL24741300 0.77 ALDH1A1 (0.50) CA12CA9CA1CA2TSHR
SCHEMBL22520702 0.77 TP53 (0.43) TP53ALDH1A1KDM4EHPGDMAPT
SCHEMBL21515041 0.76 HCAR2 (0.45) CA12CA9CA1CA2TSHR
SCHEMBL21766061 0.76 NSD2 (0.68) DDAH1PTGS1PTGS2ALDH1A1HPGD
SCHEMBL21766270 0.74 DDAH1 (0.44) DDAH1TSHRPTGS1PTGS2ALDH1A1
SCHEMBL24595426 0.72 CYP3A4 (0.37) CA1CA2TSHRTDP1
SCHEMBL27655843 0.72 TSHR (0.50) DDAH1CA12CA9CA1CA2

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-9944730-B2 Polymers derived from norbornadiene and maleic anhydride and use thereof PROMERUS, LLC (US) 2018-04-17 US disclosed
US-20180044449-A1 POLYMERS DERIVED FROM NORBORNADIENE AND MALEIC ANHYDRIDE AND USE THEREOF PROMERUS, LLC (US) 2018-02-15 US disclosed
US-9834627-B2 Polymers derived from norbornadiene and maleic anhydride and use thereof PROMERUS, LLC (US) 2017-12-05 US disclosed
US-20170190810-A1 POLYMERS DERIVED FROM NORBORNADIENE AND MALEIC ANHYDRIDE AND USE THEREOF PROMERUS, LLC (US) 2017-07-06 US disclosed