SCHEMBL5014110

SCHEMBL5014110

CCCCCCCCCCCCCCCCCCCCOc1c[c]ccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.51
TSHR P16473 2/20 0.51
NR5A1 Q13285 1/20 0.49
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL1664309 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL920303 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL1664741 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL6536652 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL6050554 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL677306 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL8420511 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL533346 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL9796880 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2
SCHEMBL6682729 1.00 LTA4H (0.51) LTA4HTSHRNR5A1MLNRNR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951429-A1 CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS Shell Internationale Research Maatschappij B.V. (NL) 2008-08-06 EP disclosed
WO-2007057455-A1 CATALYTIC OLIGOMERIZATION OF OLEFINIC MONOMERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-05-24 WO disclosed