SCHEMBL8423711

SCHEMBL8423711

CC(C)(C)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.47
DAGLA Q9Y4D2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.38
SCN9A Q15858 3/20 0.38
FPR2 P25090 1/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8425357 0.85 PGR (0.50) DAGLAPGRALDH1A1HTTCA12
SCHEMBL940743 0.76 PTGS2 (0.57) LIPEDAGLAHRH3SCN9APTGS1
SCHEMBL20325535 0.75 LIPE (0.48) LIPEDAGLAHRH3SCN9AALDH1A1
SCHEMBL7302376 0.72 MMP2 (0.50) LIPEDAGLAHRH3SCN9AFPR2
SCHEMBL6808653 0.71 PTGS2 (0.53) LIPEDAGLAHRH3PTGS1PTGS2
SCHEMBL7307841 0.70 MMP2 (0.43) LIPEDAGLAHRH3SCN9AFPR2
SCHEMBL17487332 0.70 LIPE (0.55) LIPEHRH3SCN9AFPR2P2RX3
SCHEMBL10833553 0.70 PTGS2 (0.51) LIPEDAGLAHRH3HTTPTGS1
SCHEMBL6840382 0.69 LIPE (0.56) LIPEHRH3SCN9AP2RX3LTA4H
SCHEMBL20836099 0.69 LIPE (0.53) LIPEHRH3SCN9AFPR2P2RX3

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed