SCHEMBL13846320

SCHEMBL13846320

CC(Br)C(=O)c1ccc(OCC(=O)OCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
SRD5A2 P31213 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL7401820 0.84 ALDH1A1 (0.49) L3MBTL1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL1706669 0.80 ALDH1A1 (0.55) MAPTKMT2ASMN1; SMN2SRD5A2
SCHEMBL5743825 0.77 PARP10 (0.58) L3MBTL1GAAKMT2ANPSR1SMN1; SMN2
SCHEMBL16332495 0.75 GAA (0.59) MAPTGAANPSR1SMN1; SMN2HPGD
SCHEMBL23542808 0.74 SMN1; SMN2 (0.57) GAANPSR1SMN1; SMN2CYP1A2HPGD
SCHEMBL10040899 0.74 TSHR (0.57) L3MBTL1GAAKMT2ASMN1; SMN2HPGD
SCHEMBL13168175 0.74 L3MBTL1 (0.44) L3MBTL1MAPTGAAKMT2ANPSR1
SCHEMBL14198501 0.74 L3MBTL1 (0.48) L3MBTL1MAPTGAAKMT2ANPSR1
SCHEMBL6642095 0.73 L3MBTL1 (0.50) L3MBTL1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL2007499 0.71 L3MBTL1 (0.46) L3MBTL1MAPTGAAKMT2ANPSR1

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-20090124760-A1 POLYOLEFIN HYBRID POLYMER AND METHOD FOR MANUFACTURING THE SAME MITSUI CHEMICALS, INC. (JP) 2009-05-14 US disclosed