SCHEMBL6683683

SCHEMBL6683683

CCCCCCCc1ccccc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.59
RIPK1 Q13546 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LTA4H P09960 2/20 0.50
PPARA Q07869 2/20 0.50
LIPG Q9Y5X9 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
PPARG P37231 1/20 0.48
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
BCL2L2 Q92843 1/20 0.44

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
SCHEMBL6369360 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL321831 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL29580977 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL10875308 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL6552750 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL8016071 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL407448 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL321170 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL20895821 1.00 HRH1 (0.59) HRH1RIPK1SLC6A2SLC6A4THRA
SCHEMBL1859695 0.98 HRH1 (0.57) HRH1RIPK1SLC6A2SLC6A4THRA

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