SCHEMBL5134041

SCHEMBL5134041

C=CCc1cc(NCCCCC)cc(CC=C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ADRA2A P08913 1/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
ABL1 P00519 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
DHFR P00374 1/20 0.36
GPR84 Q9NQS5 4/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 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
SCHEMBL11407931 0.74 PTGS2 (0.53) ADRA2AMEN1KMT2AKDM4ECNR1
SCHEMBL11766406 0.74 GABRA1 (0.37) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL3400985 0.73 ADRA2A (0.53) ADRA2AABL1GPR84ALDH1A1
SCHEMBL9638255 0.73 ADRA2A (0.44) GAAADRA2AMAPK1ABL1GPR84
SCHEMBL11565013 0.72 ABL1 (0.43) MEN1KMT2AABL1TP53ALDH1A1
SCHEMBL14318839 0.72 ALOX5 (0.49) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL9187399 0.72 GPR84 (0.51) ADRA2AABL1GPR84
SCHEMBL11403868 0.72 DHFR (0.47) MEN1MAPTKMT2ACNR1CNR2
SCHEMBL28700733 0.71 ABL1 (0.55) ADRA2AABL1GPR84ALDH1A1
SCHEMBL8517935 0.71 DHFR (0.49) GAAKDM4EMAPK1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4038434-A ANTIOXIDANT STABILIZED EDIBLE COMPOSITIONS HOWARD HALL & COMPANY (US) 1977-07-26 US claimed
US-20080286430-A1 Antioxidant for fats, oils and food SELTZER RAYMOND 2008-11-20 US disclosed
US-20060051478-A1 Antioxidant for fats,oils and food CIBA SPECIALTY CHEMICALS CORP. 2006-03-09 US disclosed
EP-1571928-A2 ANTIOXIDANT FOR FATS, OILS AND FOOD Ciba SC Holding AG (CH) 2005-09-14 EP disclosed
WO-2004055141-A2 ANTIOXIDANT FOR FATS, OILS AND FOOD CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-01 WO disclosed
US-4038434-A ANTIOXIDANT STABILIZED EDIBLE COMPOSITIONS HOWARD HALL & COMPANY (US) 1977-07-26 US disclosed
US-4038434-A ANTIOXIDANT STABILIZED EDIBLE COMPOSITIONS HOWARD HALL & COMPANY (US) 1977-07-26 US disclosed