SCHEMBL6686112

SCHEMBL6686112

CCCCCC(C)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
LTA4H P09960 2/20 0.51
MAOA P21397 2/20 0.47
PTGS1 P23219 1/20 0.47
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
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
CHRM2 P08172 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

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
SCHEMBL28949610 0.98 LTA4H (0.50) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL6679788 0.98 LTA4H (0.50) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL28730788 0.95 LTA4H (0.47) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL28730793 0.95 LTA4H (0.47) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL28730787 0.95 LTA4H (0.47) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL15029217 0.95 LMNA (0.53) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL6683927 0.95 LMNA (0.53) LMNALTA4HMAOAPTGS1ADRB2
SCHEMBL27330236 0.87 LMNA (0.57) LMNAMAOAPTGS1GPR88
SCHEMBL20357815 0.86 CYP3A4 (0.47) LTA4HCYP3A4CYP2D6
SCHEMBL22522160 0.85 SLC2A1 (0.44) LTA4HMAPK1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed