SCHEMBL7962801

SCHEMBL7962801

CCC(Oc1cccc2c1CCc1sc(S(=O)(=O)Cc3ccccc3-c3ccc([N+](=O)[O-])cc3)nc1-2)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.35
PPARG P37231 5/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
EIF4E P06730 4/20 0.32
CYP19A1 P11511 2/20 0.32
PPARD Q03181 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7976487 0.86 PPARA (0.37) PPARAPPARGADRA2AADRA2BADRA2C
SCHEMBL7524448 0.86 PTGDR2 (0.41) EIF4ECYP19A1PPARDLMNAMAPT
SCHEMBL7962804 0.84 KMT2A (0.34) PPARAPPARGEIF4EPPARDMAPT
SCHEMBL7976488 0.78 MEN1 (0.33) PPARAPPARGADRA2AADRA2BADRA2C
SCHEMBL7976474 0.77 PPARA (0.36) PPARAPPARGPPARDLMNAMAPT
SCHEMBL7521203 0.76 PTGIR (0.40) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL7974272 0.76 PPARA (0.39) PPARAPPARGPPARDLMNAMAPT
SCHEMBL7527899 0.75 PTGIR (0.40) MEN1KMT2A
SCHEMBL7974229 0.75 MAPT (0.38) EIF4ELMNAMAPTRAB9AMEN1
SCHEMBL7974227 0.75 MAPT (0.38) EIF4ELMNAMAPTRAB9AMEN1

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed