SCHEMBL1824801

SCHEMBL1824801

Cc1cc(OC(C)(C(N)=O)c2ccccc2Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL1820714 0.88 HDAC8 (0.43) MCL1NPC1RAB9AMAPTKMT2A
SCHEMBL1818671 0.85 NPSR1 (0.43) MCL1NPC1RAB9AMAPTKMT2A
SCHEMBL1823517 0.83 MAPT (0.40) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL1820465 0.81 KMT2A (0.38) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL1822482 0.79 BCHE (0.41) SMN1; SMN2
SCHEMBL1821328 0.79 PPARG (0.39) L3MBTL1SMN1; SMN2
SCHEMBL1820650 0.77 PLA2G1B (0.42) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL1820820 0.74 POLB (0.38) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL1820711 0.73 MCL1 (0.43) MCL1NPC1RAB9AMAPTKMT2A
SCHEMBL1819040 0.73 MAPT (0.41) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed