SCHEMBL27635751

SCHEMBL27635751

CC(C)Oc1ccc(C(=O)O)cc1.CCCCCCCCCCCCOc1ccc(C(=O)OC(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
PLA2G4B P0C869 8/20 0.64
RARB P10826 3/20 0.61
PLA2G4A P47712 1/20 0.58
HTT P42858 1/20 0.54
NR1H4 Q96RI1 2/20 0.54
KMT2A Q03164 1/20 0.54

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
Benzoic Acid SCHEMBL27635754 0.94 TP53 (0.74) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL27635655 0.88 TP53 (0.85) TP53TSHRPLA2G4BRARBPLA2G4A
Benzoic Acid SCHEMBL8014591 0.85 TP53 (0.90) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10593317 0.84 RARB (0.72) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3341210 0.83 MAPT (0.61) TP53TSHRPLA2G4BRARBKMT2A
SCHEMBL26323509 0.83 NPC1 (0.67) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL20464840 0.82 NPC1 (0.58) TP53TSHRPLA2G4BRARB
SCHEMBL503352 0.81 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3625733 0.81 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1163918 0.81 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