SCHEMBL3964676

SCHEMBL3964676

CC(C)c1ccc(S(=O)(=O)n2cccc2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPME1 Q9Y570 6/20 0.45
▸ RAPGEF4 Q8WZA2 2/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ APEH P13798 1/20 0.42
▸ HTR6 P50406 7/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL2457308 0.83 RAPGEF4 (0.58) PPME1RAPGEF4APEHNOD1TRIM24
SCHEMBL3964674 0.83 PPME1 (0.58) PPME1RAPGEF4APEHCYP3A4
SCHEMBL1616366 0.80 PPME1 (0.60) PPME1APEHHTR6TRIM24TRIM33
SCHEMBL3968075 0.80 PPME1 (0.55) PPME1RAPGEF4APEHHTR6TRIM24
SCHEMBL3967048 0.76 PPME1 (0.43) PPME1RAPGEF4APEHHTR6CYP2D6
SCHEMBL3966831 0.73 MET (0.49) PPME1HTR6CYP3A4
SCHEMBL3969097 0.72 NOD1 (0.43) PPME1RAPGEF4APEHHTR6NOD1
SCHEMBL2460281 0.71 TRIM24 (0.52) PPME1APEHHTR6TRIM24TRIM33
SCHEMBL5247297 0.71 RAPGEF4 (0.60) PPME1RAPGEF4APEHTRIM24TRIM33
SCHEMBL946643 0.71 KDM4E (0.76) HTR6CYP3A4CYP2D6NOD1

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
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 — — WO disclosed
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