SCHEMBL7510698

SCHEMBL7510698

COC(=O)CCc1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.64
RXRA P19793 10/20 0.59
RXRB P28702 9/20 0.59
KDM4E B2RXH2 5/20 0.59
RXRG P48443 5/20 0.59
HPGD P15428 4/20 0.59
NR4A1 P22736 3/20 0.59
NR4A3 Q92570 3/20 0.59
PTGS2 P35354 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
ABCC4 O15439 1/20 0.59
C5 P01031 1/20 0.59
LMNA P02545 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
TSHR P16473 1/20 0.59
TBXA2R P21731 1/20 0.59
PTGS1 P23219 1/20 0.59

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
SCHEMBL7501971 1.00 NR4A2 (0.64) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7505452 0.94 RXRA (0.61) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7504563 0.94 RXRA (0.61) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7500911 0.90 PTGS2 (0.58) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7505634 0.90 NR4A2 (0.60) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7505754 0.90 NR4A2 (0.60) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7504636 0.90 PTGS2 (0.58) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL13448810 0.90 RXRA (0.72) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7510918 0.89 KDM4E (0.63) NR4A2RXRARXRBKDM4ERXRG
SCHEMBL7506899 0.89 KDM4E (0.63) NR4A2RXRARXRBKDM4ERXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed