SCHEMBL8948448

SCHEMBL8948448

CCc1ccc(C=CC=Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALOX5 P09917 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 2/20 0.46
TRPA1 O75762 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL16105872 0.91 TP53 (0.59) MAOBTP53CASP3SENP7ALOX5
SCHEMBL16105660 0.91 TP53 (0.59) MAOBTP53CASP3SENP7ALOX5
SCHEMBL6547298 0.91 TP53 (0.59) MAOBTP53CASP3SENP7ALOX5
SCHEMBL14727246 0.91 MAOB (0.50) MAOBTP53CASP3SENP7ALOX5
SCHEMBL18680226 0.89 MAOB (0.48) MAOBTP53CASP3SENP7ALOX5
Cinnamaldehyde SCHEMBL28900043 0.84 ALDH1A1 (0.60) MAOBTP53CASP3SENP7ALOX5
SCHEMBL4239993 0.83 ALOX5 (0.52) MAOBALOX5PTGS1PTGS2RELA
SCHEMBL8701374 0.82 TP53 (0.59) TP53CASP3SENP7ALOX5PTGS1
SCHEMBL9026432 0.81 ALOX5 (0.63) MAOBTP53CASP3SENP7ALOX5
SCHEMBL16853122 0.81 ALOX5 (0.63) MAOBTP53CASP3SENP7ALOX5

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
US-5518626-A Process employing thermally sterilizable aqueous polishing agents UNITED TECHNOLOGIES CORPORATION (US) 1996-05-21 US claimed
WO-1995017251-A1 SYSTEM AND PROCESS FOR REMOVING FREE AND DISSOLVED CO2 FROM AQUEOUS SOLUTIONS UNITED TECHNOLOGIES CORPORATION (US) 1995-06-29 WO claimed
WO-1995017250-A1 SYSTEM AND PROCESS EMPLOYING THERMALLY STERILIZABLE AQUEOUS POLISHING AGENTS UNITED TECHNOLOGIES CORPORATION (US) 1995-06-29 WO claimed