SCHEMBL6701629

SCHEMBL6701629

CCOC(=O)C(C)n1c(C(=O)O)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NOD2 Q9HC29 6/20 0.46
NOD1 Q9Y239 6/20 0.46
CCR2 P41597 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
F10 P00742 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7684555 0.86 MCL1 (0.53) MCL1MEN1KMT2ATSHRDAO
SCHEMBL20037197 0.85 MEN1 (0.45) MEN1KMT2ATSHRNOD2NOD1
SCHEMBL7686006 0.82 MCL1 (0.46) MCL1MEN1KMT2ATSHRDAO
SCHEMBL6702303 0.81 TSHR (0.41) MEN1KMT2ATSHRNOD2NOD1
SCHEMBL5823619 0.79 MCL1 (0.62) MCL1TSHRDAOCCR2ALDH1A1
SCHEMBL29463237 0.78 NOD2 (0.57) MEN1KMT2ATSHRNOD2NOD1
SCHEMBL5794123 0.78 NOD2 (0.57) MEN1KMT2ATSHRNOD2NOD1
SCHEMBL5806538 0.77 MCL1 (0.58) MCL1TSHRDAOCCR2ALDH1A1
SCHEMBL8690109 0.74 MCL1 (0.55) MCL1TSHRDAOCCR2ALDH1A1
SCHEMBL7256497 0.74 MEN1 (0.63) MCL1MEN1KMT2ATSHRNOD2

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-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed