SCHEMBL8558402

SCHEMBL8558402

NS(=O)(=O)c1ccccc1-c1oc(CCO)nc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
PTGS1 P23219 5/20 0.44
RXRA P19793 9/20 0.43
RXRB P28702 8/20 0.42
NR4A2 P43354 8/20 0.42
RXRG P48443 6/20 0.42
NR4A1 P22736 2/20 0.40
NR4A3 Q92570 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL8556142 0.91 PTGS2 (0.46) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8550567 0.91 NR4A2 (0.51) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8558731 0.89 PTGS2 (0.47) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8558075 0.88 PTGS2 (0.43) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8558542 0.86 PTGS2 (0.43) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8561129 0.84 PTGS2 (0.44) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL6308060 0.84 NR4A2 (0.52) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL6308687 0.84 NR4A2 (0.44) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL6860700 0.83 PTGS1 (0.41) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL9026925 0.83 RXRA (0.44) PTGS2PTGS1RXRARXRBNR4A2

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed