SCHEMBL11250823

SCHEMBL11250823

CCOC(=O)C(C)C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
PGR P06401 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
KCNH2 Q12809 1/20 0.50
PIN1 Q13526 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.45
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL27715083 0.89 NPC1 (0.59) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL16050447 0.88 MEN1 (0.54) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL5866532 0.84 KMT2A (0.57) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL1156167 0.83 KMT2A (0.50) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL8834224 0.83 MEN1 (0.53) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL4924103 0.83 NPC1 (0.53) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL5106630 0.83 MEN1 (0.53) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL396482 0.82 MEN1 (0.56) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL2098734 0.81 NPC1 (0.59) MEN1KMT2ANPC1PGRADRA2A
SCHEMBL28226195 0.81 NPC1 (0.59) MEN1KMT2ANPC1PGRADRA2A

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed