SCHEMBL27365841

SCHEMBL27365841

CC(=O)Cc1ccc(OC(=O)c2ccc(CN(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
POLB P06746 1/20 0.46
PRSS1 P07477 5/20 0.46
KLK1 P06870 4/20 0.46
TMPRSS2 O15393 2/20 0.46
F2 P00734 3/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
SLC22A2 O15244 1/20 0.46
HPN P05981 1/20 0.46
CTSL P07711 1/20 0.46
CNR1 P21554 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRD1 P41143 1/20 0.46
HGFAC Q04756 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC47A2 Q86VL8 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL22193385 0.85 PRSS1 (0.52) CA2POLBPRSS1KMT2AALDH1A1
SCHEMBL12895869 0.83 SMN1; SMN2 (0.57) CA2POLBPRSS1KLK1TMPRSS2
SCHEMBL21318232 0.83 SMN1; SMN2 (0.57) CA2PRSS1KMT2AALDH1A1PKM
SCHEMBL10468377 0.82 HRH3 (0.54) POLBALDH1A1LSSSMN1; SMN2TSHR
SCHEMBL9837043 0.82 KMT2A (0.65) PRSS1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18874037 0.76 MAPT (0.49) POLBPRSS1KLK1TMPRSS2KMT2A
SCHEMBL13113438 0.75 ALDH1A1 (0.44) POLBKMT2AALDH1A1LSSSMN1; SMN2
SCHEMBL22166798 0.75 THRB (0.50) POLBPRSS1KLK1TMPRSS2KMT2A
SCHEMBL26047455 0.74 KMT2A (0.52) PRSS1KLK1TMPRSS2F2PRSS2
SCHEMBL6231216 0.74 HRH3 (0.49) KMT2AALDH1A1LSSSMN1; SMN2TSHR

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-1065866-A The prodrug esters of phenol 2-piperidino-(1-position only)-1-alkanol PFIZER (US) 1992-11-04 CN disclosed