SCHEMBL6809065

SCHEMBL6809065

CCCCCCCCCC(O)(OCCc1ccccc1C)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL9697641 0.80 LTA4H (0.39) LTA4HCNR1CNR2PPARGPPARA
SCHEMBL27305356 0.80 LTA4H (0.39) LTA4HCNR1CNR2PPARGPPARA
SCHEMBL21465005 0.78 LTA4H (0.44) LTA4HCNR1CNR2PPARGPPARA
SCHEMBL2391802 0.71 PPARG (0.44) LTA4HLIPGCNR1CNR2PPARG
SCHEMBL11065588 0.71 PPARG (0.44) LTA4HLIPGCNR1CNR2PPARG
SCHEMBL9453368 0.71 PPARG (0.44) LTA4HLIPGCNR1CNR2PPARG
SCHEMBL1527669 0.71 PPARG (0.44) LTA4HLIPGCNR1CNR2PPARG
SCHEMBL21991 0.70 PPARG (0.43) LTA4HCNR1CNR2PPARGPPARA
SCHEMBL28552515 0.70 PPARG (0.43) LTA4HCNR1CNR2PPARGPPARA
SCHEMBL382122 0.70 PPARG (0.43) LTA4HCNR1CNR2PPARGPPARA

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
WO-2004072327-A1 COMPOSITION AND METHOD FOR REMOVING AND/OR PREVENTING SCALING OF ELEMENTS IN PROCESSING EQUIPMENT EXEL, HENDRIKUS, GERRIT (NL) 2004-08-26 WO disclosed