SCHEMBL11347176

SCHEMBL11347176

Cc1cc(C(=O)Nc2cc3ccc(S(=O)(=O)O)cc3cc2O)ccc1NC(=O)Nc1ccc(C(=O)Nc2cc3ccc(S(=O)(=O)O)cc3cc2O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 2/20 0.45
▸ DHODH Q02127 1/20 0.45
▸ APEX1 P27695 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ P2RY11 Q96G91 2/20 0.41
▸ HPSE Q9Y251 2/20 0.41
▸ THRB P10828 1/20 0.40
▸ PRMT1 Q99873 2/20 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
SCHEMBL10909653 0.93 DHODH (0.45) TIMP3DHODHAPEX1NPC1RAB9A
SCHEMBL11427857 0.87 CASP6 (0.44) TIMP3DHODHAPEX1NPC1RAB9A
SCHEMBL11343087 0.84 TIMP3 (0.47) TIMP3DHODHAPEX1NPC1RAB9A
SCHEMBL11433915 0.84 CASP6 (0.44) TIMP3DHODHAPEX1NPC1RAB9A
SCHEMBL11426456 0.84 MEN1 (0.55) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL11340900 0.84 TIMP3 (0.53) TIMP3APEX1CA12CA1CA2
SCHEMBL11588309 0.83 APEX1 (0.65) TIMP3DHODHAPEX1RAB9AL3MBTL1
SCHEMBL10823661 0.83 MEN1 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL11341877 0.83 P2RY11 (0.46) TIMP3DHODHAPEX1NPC1RAB9A
SCHEMBL11342265 0.83 TIMP3 (0.48) TIMP3APEX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 — — US disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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