SCHEMBL8554889

SCHEMBL8554889

NS(=O)(=O)c1ccccc1-c1oc(C(=O)O)nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.62
RXRA P19793 6/20 0.45
RXRB P28702 5/20 0.45
RXRG P48443 2/20 0.45
FAAH O00519 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NR4A1 P22736 2/20 0.39
NR4A3 Q92570 2/20 0.39
F10 P00742 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 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
SCHEMBL8546270 0.90 NR4A2 (0.49) NR4A2RXRARXRBRXRGFAAH
SCHEMBL8555990 0.90 NR4A2 (0.62) NR4A2RXRARXRBRXRGFAAH
SCHEMBL8560591 0.87 NR4A2 (0.46) NR4A2RXRARXRBRXRGFAAH
SCHEMBL8556797 0.84 ALDH1A1 (0.46) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL5694182 0.81 PTGS2 (0.56) NR4A2RXRARXRBCA1CA2
SCHEMBL8557634 0.81 NR4A2 (0.66) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL8547540 0.81 NR4A2 (0.49) NR4A2RXRARXRBRXRGKDM4E
Methane SCHEMBL6310045 0.80 USP1 (0.48) NR4A2RXRARXRBKDM4EALDH1A1
SCHEMBL7502759 0.80 NR4A2 (0.73) NR4A2RXRARXRBRXRGCA1
SCHEMBL7500800 0.80 NR4A2 (0.73) NR4A2RXRARXRBRXRGCA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed