SCHEMBL8418014

SCHEMBL8418014

COC(=O)CCCc1ccc(C(O)CCCCCC(F)(F)F)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
PTGER2 P43116 5/20 0.42
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.35
PKM P14618 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
APP P05067 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL8419352 0.99 HPGD (0.45) HPGDPTGER2PPARGPPARAPKM
SCHEMBL8418028 0.96 HPGD (0.47) HPGDPTGER2PPARGPPARAPKM
SCHEMBL8417489 0.91 HPGD (0.44) HPGDPTGER2PPARGPPARAPKM
SCHEMBL8419575 0.90 HPGD (0.46) HPGDPTGER2PPARGPKMRPS6KB2
SCHEMBL8421783 0.90 HPGD (0.45) HPGDPTGER2PPARGPPARAPKM
SCHEMBL8418191 0.89 HPGD (0.44) HPGDPTGER2PKMRPS6KB2APP
SCHEMBL8418172 0.88 HPGD (0.46) HPGDPTGER2PPARGPPARAPKM
SCHEMBL8421785 0.87 HPGD (0.50) HPGDPTGER2PPARGPPARARPS6KB2
SCHEMBL8419376 0.86 HPGD (0.44) HPGDPTGER2PPARGPPARAPKM
SCHEMBL8421492 0.86 HPGD (0.46) HPGDPKMRPS6KB2APPTRPV1

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
EP-0943606-A1 BENZENESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 1999-09-22 EP disclosed