SCHEMBL10457403

SCHEMBL10457403

Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.71
PTGS1 P23219 1/20 0.71
TBXAS1 P24557 1/20 0.71
MAPK1 P28482 1/20 0.71
PTGS2 P35354 1/20 0.71
MAPK14 Q16539 1/20 0.71
STK39 Q9UEW8 12/20 0.65
PNLIP P16233 1/20 0.57
BCL2L1 Q07817 1/20 0.56

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
SCHEMBL649911 0.89 PTGS1 (0.77) PARGPTGS1TBXAS1MAPK1PTGS2
SCHEMBL29375129 0.89 PTGS1 (0.77) PARGPTGS1TBXAS1MAPK1PTGS2
SCHEMBL23304164 0.86 P2RX1 (0.64) PARGPTGS1TBXAS1MAPK1PTGS2
SCHEMBL25413048 0.85 PTGS1 (0.71) PARGPTGS1TBXAS1MAPK1PTGS2
SCHEMBL11692717 0.85 PTGS1 (0.71) PARGPTGS1TBXAS1MAPK1PTGS2
SCHEMBL9868077 0.84 STK39 (0.77) PARGPTGS1TBXAS1MAPK1PTGS2
3,3',4',5-Tetrachlorosalicylanilide SCHEMBL168748 0.83 PTGS1 (1.00) PARGPTGS1TBXAS1MAPK1PTGS2
3,3',4',5-Tetrachlorosalicylanilide SCHEMBL29367227 0.83 PTGS1 (1.00) PARGPTGS1TBXAS1MAPK1PTGS2
Hydrochloric Acid SCHEMBL11777767 0.83 STK39 (0.75) PARGPTGS1TBXAS1MAPK1PTGS2
SCHEMBL2681276 0.81 RAB9A (0.69)

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-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed