SCHEMBL5590796

SCHEMBL5590796

COc1ccc(C(=O)[O-])cc1CC=C(C)CCC=C(C)C.[Na+]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 2/20 0.45
ALOX5 known ✓ P09917 3/20 0.42
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
DNMT1 P26358 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
PTPN1 P18031 2/20 0.45
PTGES O14684 3/20 0.45
MTNR1A P48039 1/20 0.45
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
BACE1 P56817 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL5590795 1.00 PPARG (0.45) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL5590799 0.87 BACE1 (0.56) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL27639564 0.86 PPARG (0.45) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL27660340 0.85 PTGES (0.46) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL29399866 0.79 PPARG (0.53) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL12702676 0.77 BACE1 (0.56) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8009534 0.77 BACE1 (0.53) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8019435 0.76 BACE1 (0.58) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8011278 0.76 BACE1 (0.55) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8020241 0.75 BACE1 (0.51) PPARGPPARDPPARADNMT1SIRT5

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
JP-2007204431-A FAT CELL DIFFERENTIATION PROMOTER FUJI SANGYO KK 2007-08-16 JP disclosed