SCHEMBL5838706

SCHEMBL5838706

CC(C)(C)OC(=O)c1c(C(=O)N2Cc3cccc([N+](=O)[O-])c3C2=O)sc2c1CCOC2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.42
P2RX3 P56373 1/20 0.34
CNR2 P34972 13/20 0.33
CNR1 P21554 6/20 0.32

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
SCHEMBL5838696 0.76 CXCR2 (0.42) CXCR2
SCHEMBL5838665 0.75 ADORA1 (0.33) P2RX3
SCHEMBL29814606 0.73 TAS1R3 (0.40) P2RX3
SCHEMBL31303339 0.73 TAS1R3 (0.40) P2RX3
SCHEMBL5837829 0.72 CXCR2 (0.36) CXCR2
SCHEMBL7471265 0.67 ACHE (0.31)
SCHEMBL6315716 0.64 CXCR2 (0.54) CXCR2CNR2
SCHEMBL5838657 0.62 ALDH1A1 (0.37)
SCHEMBL10086371 0.62 TP53 (0.44)
SCHEMBL5837610 0.61 MAPT (0.33) CXCR2

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-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed