SCHEMBL4015952

SCHEMBL4015952

CCC(C)OC(=O)C(Oc1ccccc1Cl)C(=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
SLC6A9 P48067 1/20 0.37
PKM P14618 1/20 0.36
CXCL8 P10145 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 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
SCHEMBL1940968 0.75 KMT2A (0.55) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2316117 0.74 MTNR1A (0.47) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11915275 0.74 MCHR1 (0.45) MAPTKMT2AMEN1POLBHPGD
SCHEMBL913927 0.73 MAPT (0.45) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL7323206 0.73 ALDH1A1 (0.48) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL4015947 0.73 CASP1 (0.47) MAPTKMT2AMEN1POLBHPGD
SCHEMBL9423833 0.70 ALDH1A1 (0.47) MAPTKMT2AMEN1POLBHPGD
SCHEMBL8935901 0.70 PPARA (0.51) MAPTKMT2AMEN1POLBHPGD
SCHEMBL5063037 0.70 PPARA (0.51) MAPTKMT2AMEN1POLBHPGD
SCHEMBL9068873 0.70 KMT2A (0.48) MAPTKMT2AMEN1POLBHPGD

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
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed