SCHEMBL1648158

SCHEMBL1648158

CC(C)(C)N(C(=O)O)c1ccc(-c2ccc(Br)cc2)cc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALAD P13716 1/20 0.37
HDAC2 Q92769 1/20 0.37
MCL1 Q07820 4/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
MMP2 P08253 4/20 0.33
MMP1 P03956 3/20 0.33
MMP3 P08254 3/20 0.33
MMP7 P09237 3/20 0.33
MMP9 P14780 3/20 0.33
MMP13 P45452 3/20 0.33
PTPN1 P18031 1/20 0.33
LSS P48449 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPRS1 P07814 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL1648161 0.87 PTGDR2 (0.36) MCL1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2191688 0.78 RAB9A (0.37) ALDH1A1LMNARAB9A
SCHEMBL1647383 0.77 HSD17B1 (0.41) PTPN1RAB9ASMN1; SMN2
SCHEMBL57513 0.76 DGAT1 (0.41) ALDH1A1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL16594120 0.74 KMT2A (0.42) ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1690753 0.74 ESR2 (0.45) RXRARXRB
SCHEMBL650663 0.74 MAPT (0.45) HDAC2MCL1ALDH1A1LMNASMN1; SMN2
SCHEMBL5655847 0.74 PTGDR2 (0.38) ALDH1A1MAPK1LMNASMN1; SMN2L3MBTL1
SCHEMBL652037 0.72 HCAR3 (0.44) ALDH1A1MAPK1LMNARAB9ASMN1; SMN2
SCHEMBL652038 0.72 HCAR3 (0.44) ALDH1A1MAPK1LMNARAB9ASMN1; SMN2

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-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed