SCHEMBL8557583

SCHEMBL8557583

COc1cccc(Cl)c1-c1nc(Cc2ccccc2)oc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.40
ELANE P08246 2/20 0.37
NR4A2 P43354 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.36
GLA P06280 1/20 0.36
SCN9A Q15858 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35
WEE1 P30291 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL8555069 0.93 RXRA (0.43) RXRAELANECA1CA2CA12
SCHEMBL8555338 0.93 RXRA (0.38) RXRAELANENR4A2CA1CA2
SCHEMBL8560078 0.90 NR4A2 (0.41) RXRAELANENR4A2CA1CA2
SCHEMBL8556682 0.89 RPS6KA2 (0.43) RXRAELANECA1CA2CA12
SCHEMBL8554064 0.88 RXRA (0.40) RXRANR4A2CA1CA2CA12
SCHEMBL8556336 0.87 RXRA (0.41) RXRAELANECA1CA2CA12
SCHEMBL8557954 0.87 RXRA (0.47) RXRACA1CA2CA12CA9
SCHEMBL8555989 0.87 NR4A2 (0.38) RXRANR4A2CA1CA2CA12
SCHEMBL8559802 0.85 RXRA (0.49) RXRACA1CA2CA12CA9
SCHEMBL7501945 0.85 CA2 (0.47) RXRACA1CA2CA12CA9

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