SCHEMBL27312976

SCHEMBL27312976

O=C[C@@H](Cc1ccccc1)N1CCOCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
FKBP1A P62942 1/20 0.35
LMNA P02545 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PTGS2 P35354 2/20 0.34
F10 P00742 1/20 0.34
EPHX1 P07099 1/20 0.34
POLB P06746 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL632013 0.78 MMP8 (0.45) MMP8MEN1KMT2ATAAR1ALDH1A1
SCHEMBL9514878 0.78 ALDH1A1 (0.55) MMP8MEN1KMT2AALDH1A1PKM
SCHEMBL9514909 0.73 MEN1 (0.49) MMP8MEN1KMT2AALDH1A1PKM
SCHEMBL10588010 0.71 ALDH1A1 (0.61) MEN1KMT2ATAAR1ALDH1A1PKM
SCHEMBL7275509 0.69 CYP1A2 (0.53) MEN1KMT2ATAAR1LMNAEPHX1
SCHEMBL15110433 0.69 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAF10
SCHEMBL1553262 0.68 L3MBTL1 (0.54) MEN1KMT2AFKBP1ALMNAPRMT5
SCHEMBL29003413 0.67 LMNA (0.47) MEN1KMT2AALDH1A1FKBP1ALMNA
SCHEMBL15573854 0.66 KCNA5 (0.43) MMP8ALDH1A1FKBP1ALMNAPOLB
SCHEMBL8591876 0.66 KCNA5 (0.42) ALDH1A1LMNAPRMT5WDR77NPSR1

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