SCHEMBL1845914

SCHEMBL1845914

COC(=O)N(CCC(=O)c1ccccc1)CCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 4/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
PDPK1 O15530 1/20 0.44
PTGIR P43119 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL3709505 0.88 THRA (0.46) THRATHRBKMT2ANPC1RAB9A
SCHEMBL1847562 0.78 KMT2A (0.46) THRATHRBKMT2ANPC1RAB9A
SCHEMBL659686 0.76 PDPK1 (0.64) KMT2ANPC1RAB9ACASP3SENP8
SCHEMBL2209750 0.76 CCR6 (0.50) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL1869067 0.74 UTS2R (0.46) KMT2AMEN1MAPTL3MBTL1HPGD
SCHEMBL1869071 0.74 UTS2R (0.46) KMT2AMEN1MAPTL3MBTL1HPGD
SCHEMBL957332 0.74 UTS2R (0.46) KMT2AMEN1MAPTL3MBTL1HPGD
SCHEMBL2211472 0.72 CCR6 (0.46) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL3646047 0.72 KMT2A (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8145760 0.72 NPC1 (0.58) KMT2ANPC1RAB9ACASP3SENP8

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
EP-2324017-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed