SCHEMBL10909144

SCHEMBL10909144

O=C(Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)cc1)C(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.56
▸ DEGS1 O15121 2/20 0.46
▸ NQO2 P16083 2/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ SNCA P37840 2/20 0.45
▸ TIMP3 P35625 2/20 0.43
▸ ESRRG P62508 1/20 0.42
▸ CD40 P25942 2/20 0.41
▸ CD40LG P29965 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ FGF1 P05230 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL11343949 0.93 ENPP2 (0.56) ENPP2DEGS1NQO2CASP6CTDSP1
SCHEMBL11425014 0.88 CASP6 (0.57) ENPP2DEGS1NQO2CASP6CTDSP1
SCHEMBL10909078 0.87 MEN1 (0.50) ENPP2TIMP3TRPV1KMT2A
SCHEMBL10907981 0.86 ENPP2 (0.60) ENPP2DEGS1NQO2CASP6CTDSP1
SCHEMBL10907484 0.84 ENPP2 (0.45) ENPP2DEGS1NQO2CASP6CTDSP1
SCHEMBL11425189 0.83 CD40 (0.53) ENPP2CASP6CD40CD40LGKMT2A
SCHEMBL10905209 0.83 ENPP2 (0.51) ENPP2DEGS1CASP6CTDSP1SNCA
SCHEMBL10908622 0.82 ENPP2 (0.43) ENPP2SNCACA1CA2
SCHEMBL10908058 0.81 ENPP2 (0.54) ENPP2DEGS1CASP6CTDSP1SNCA
SCHEMBL11433813 0.80 ENPP2 (0.46) ENPP2DEGS1NQO2CASP6CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 — — US disclosed
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