SCHEMBL9418697

SCHEMBL9418697

CCCCCCCCCC(CO)(OCC)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CNR1 P21554 3/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
ESR1 P03372 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL6247410 1.00 LTA4H (0.37) LTA4HPPARGPPARACNR1MLNR
SCHEMBL11857321 0.99 LTA4H (0.36) LTA4HPPARGPPARACNR1MLNR
SCHEMBL27305356 0.79 LTA4H (0.39) LTA4HPPARGPPARACNR1MLNR
SCHEMBL9697641 0.79 LTA4H (0.39) LTA4HPPARGPPARACNR1MLNR
SCHEMBL29013471 0.77 PPARG (0.42) LTA4HPPARGPPARACNR1MLNR
SCHEMBL27525280 0.77 LTA4H (0.40) LTA4HPPARGPPARACNR1MLNR
SCHEMBL8465062 0.77 PPARG (0.42) LTA4HPPARGPPARACNR1MLNR
SCHEMBL11228526 0.77 PPARG (0.42) LTA4HPPARGPPARACNR1MLNR
SCHEMBL27896874 0.77 LTA4H (0.40) LTA4HPPARGPPARACNR1MLNR
SCHEMBL6554534 0.77 LTA4H (0.42) LTA4HCNR1MLNRNR1I2ESR1

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-5344856-A Coating compositions, polyepoxides, nonionic surfactants THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed