Sugi Predict

Sugi Predict / Compounds / SCHEMBL27635655

SCHEMBL27635655

SCHEMBL27635655

CCCCCCCOc1ccc(C(=O)O)cc1.CCCCCCOc1ccc(C(=O)OC(=O)c2ccc(OCCCCC)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.85
▸ TSHR P16473 1/20 0.85
▸ PLA2G4B P0C869 8/20 0.82
▸ RARB P10826 4/20 0.78
▸ PLA2G4A P47712 1/20 0.74
▸ HTT P42858 1/20 0.68
▸ PLA2G2A P14555 1/20 0.60
▸ PTPN11 Q06124 1/20 0.60
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58

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
SCHEMBL503568 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503367 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL371494 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1322922 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3625733 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7470745 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503352 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1163918 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10777726 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1469965 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A

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
CN-1724597-A Phase change inks XEROX CORP (US) 2006-01-25 — — CN disclosed