SCHEMBL7937124

SCHEMBL7937124

CS(=O)(=O)c1ccccc1[C@](CC1CCCC1)(C(=O)NN)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
TGFBR1 P36897 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
OPRK1 P41145 1/20 0.30
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL7937181 0.88 ADAM17 (0.35) ALDH1A1GAAOPRK1
SCHEMBL7937125 0.83 ALDH1A1 (0.31) TGFBR1ALDH1A1GAASLC6A3
SCHEMBL6944566 0.80 P2RX3 (0.31) P2RX3
SCHEMBL7928806 0.79 P2RX3 (0.34) P2RX3TGFBR1ALDH1A1GAASLC6A3
SCHEMBL6986001 0.79 MASP2 (0.32) P2RX3TGFBR1
SCHEMBL7930219 0.79 TGFBR1 (0.31) P2RX3TGFBR1
SCHEMBL6988069 0.78 MASP2 (0.32) P2RX3TGFBR1
SCHEMBL6948116 0.77 TGFBR1 (0.32) P2RX3TGFBR1
SCHEMBL8112771 0.77 SLC6A3 (0.31) P2RX3TGFBR1SLC6A3
SCHEMBL6942474 0.77 P2RX3 (0.33) P2RX3TGFBR1

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-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed