SCHEMBL10909181

SCHEMBL10909181

O=C(Nc1ccc(C(=O)Nc2cc(O)cc3c(S(=O)(=O)O)cccc23)cc1)C(=O)Nc1ccc(C(=O)Nc2cc(O)cc3c(S(=O)(=O)O)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 4/20 0.48
▸ CD40LG P29965 4/20 0.48
▸ TIMP3 P35625 4/20 0.47
▸ FGF1 P05230 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CCR8 P51685 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ CA2 P00918 4/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ ENPP3 O14638 1/20 0.38
▸ ENTPD3 O75355 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ TDP2 O95551 1/20 0.38

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
SCHEMBL11351833 0.93 TIMP3 (0.55) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10908808 0.86 CD40 (0.48) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10907679 0.84 TIMP3 (0.53) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10907563 0.83 CD40 (0.50) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10996673 0.83 TIMP3 (0.46) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10908939 0.82 CD40 (0.52) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10907664 0.80 CD40 (0.50) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10907602 0.80 CD40 (0.52) CD40CD40LGTIMP3FGF1CCR8
SCHEMBL10905173 0.80 TIMP3 (0.53) CD40CD40LGTIMP3FGF1KMT2A
SCHEMBL10908823 0.79 TIMP3 (0.52) CD40CD40LGTIMP3FGF1KMT2A

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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