SCHEMBL11680690

SCHEMBL11680690

CCOCc1cc(CC(C)C)c(O)c(CC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
PTPN1 P18031 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32

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
SCHEMBL11682130 0.86 GABRA1 (0.32) GABRA1GABRB2ALOX15ALOX12
SCHEMBL11683274 0.84
SCHEMBL6419844 0.83 ALOX5 (0.36) GABRA1GABRB2PTPN1ALDH1A1SMN1; SMN2
SCHEMBL9196936 0.81 GABRA1 (0.48) GABRA1GABRB2PTPN1ALDH1A1ALOX15
SCHEMBL9325758 0.81 GABRA1 (0.41) GABRA1GABRB2ALDH1A1POLB
SCHEMBL8342795 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1POLBMAPK1
SCHEMBL1538588 0.78 GABRA1 (0.61) GABRA1GABRB2GPR84ALDH1A1POLB
SCHEMBL4057921 0.77 GABRA1 (0.56) GABRA1GABRB2PTPN1ALDH1A1POLB
SCHEMBL17187961 0.76 GABRA1 (0.60) GABRA1GABRB2PTPN1GPR84ALOX15
SCHEMBL16182674 0.76 GABRA1 (0.50) GABRA1GABRB2MAPK1ALOX15ALOX12

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-4038327-A ANTIOXIDANTS FOR POLYOLEFINS THE QUAKER OATS COMPANY (US) 1977-07-26 US disclosed