SCHEMBL27353136

SCHEMBL27353136

O=C(N(O)CCCc1ccccc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.57
MLYCD O95822 1/20 0.54
ALOX5 P09917 2/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
FAAH O00519 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.43
MMP8 P22894 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7068444 0.77 FKBP1A (0.82) FKBP1AALDH1A1TSHRPOLBSIGMAR1
SCHEMBL1953978 0.75 FKBP1A (0.80) FKBP1APOLBSIGMAR1NPSR1FAAH
SCHEMBL9556702 0.74 FKBP1A (0.78) FKBP1APOLBNPSR1FAAHMAPT
SCHEMBL15312924 0.73 ALOX5 (0.71) ALOX5KMT2AMEN1MAPTRAB9A
SCHEMBL17117357 0.73 NAMPT (0.66) FKBP1AKMT2AMEN1HTTSMN1; SMN2
SCHEMBL8327592 0.73 FKBP1A (1.00) FKBP1AKMT2AALDH1A1TSHRPOLB
SCHEMBL8602590 0.72 HRH3 (0.58) FKBP1AKMT2AALDH1A1TSHRMEN1
SCHEMBL17117403 0.72 NAMPT (0.67) FKBP1AKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6629759 0.71 FKBP1A (0.52) FKBP1AMLYCDKMT2AALDH1A1TSHR
SCHEMBL16909085 0.71 POLB (0.52) FKBP1AALOX5KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027271-C Preparation method of n-statinib and n-cyclostatini polypeptide PFICER CO LTD (US) 1995-01-04 CN disclosed
CN-87101499-A Preparation method of n-statinib and n-cyclostatini polypeptide 1988-05-11 CN disclosed