SCHEMBL28290141

SCHEMBL28290141

CCC(C)C(C(=O)O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MME P08473 2/20 0.57
ACE P12821 2/20 0.57
CPA1 P15085 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALOX5 P09917 1/20 0.56
MAOB P27338 2/20 0.53
NR4A2 P43354 1/20 0.52
BCHE P06276 1/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.49
SMPD1 P17405 1/20 0.48
ACACB O00763 1/20 0.47
GPR132 Q9UNW8 1/20 0.47

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
SCHEMBL2381049 0.84 KMT2A (0.60) KMT2AMMEACECPA1ACE2
SCHEMBL2986567 0.83 ALOX5 (0.67) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL19857060 0.83 KMT2A (0.56) KMT2AMMEACECPA1ACE2
SCHEMBL19857059 0.83 KMT2A (0.56) KMT2AMMEACECPA1ACE2
SCHEMBL16871046 0.82 BCHE (0.53) KMT2AMMEACECPA1ACE2
SCHEMBL16871064 0.82 BCHE (0.53) KMT2AMMEACECPA1ACE2
SCHEMBL27833465 0.81 ALOX5 (0.67) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL9577503 0.81 KMT2A (0.56) KMT2AMMEACECPA1ACE2
SCHEMBL28346872 0.80 BCHE (0.60) KMT2ASMN1; SMN2ALOX5MAOBBCHE
SCHEMBL11922929 0.80 BCHE (0.60) KMT2ASMN1; SMN2ALOX5MAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109609217-A A kind of high fuel value natural gas 江苏信驰能源科技有限公司 2019-04-12 CN claimed
CN-109609218-A A kind of combustion of natural gas synergist 江苏信驰能源科技有限公司 2019-04-12 CN claimed
CN-109609217-A A kind of high fuel value natural gas 江苏信驰能源科技有限公司 2019-04-12 CN disclosed
CN-109609218-A A kind of combustion of natural gas synergist 江苏信驰能源科技有限公司 2019-04-12 CN disclosed