SCHEMBL1820650

SCHEMBL1820650

CCCc1ccc(OC(C)(C(N)=O)c2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.42
KMT2A Q03164 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PPARA Q07869 9/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
THRB P10828 1/20 0.39
PPARG P37231 7/20 0.38
PPARD Q03181 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL1823517 0.84 MAPT (0.40) KMT2APPARARAB9ANPC1MAPT
SCHEMBL1821328 0.79 PPARG (0.39) PPARASMN1; SMN2PPARG
SCHEMBL1824801 0.77 MCL1 (0.43) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1820465 0.76 KMT2A (0.38) KMT2ARAB9ANPC1MAPTCASP3
SCHEMBL1820820 0.75 POLB (0.38) KMT2APPARAMAPTPPARGALDH1A1
SCHEMBL1822482 0.72 BCHE (0.41) SMN1; SMN2
SCHEMBL1820649 0.71 KIF11 (0.45) PPARAMAPTSMN1; SMN2PPARGPPARD
SCHEMBL1819713 0.70 MAOB (0.42) KMT2AMAPT
SCHEMBL1818643 0.68 ALDH1A1 (0.44) KMT2APPARAMAPTPPARGALDH1A1
SCHEMBL1819040 0.68 MAPT (0.41) KMT2APPARARAB9ANPC1MAPT

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