SCHEMBL7985624

SCHEMBL7985624

CCOC(=O)C(Br)COCC(Br)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.35
PIN1 Q13526 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
CAD P27708 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL2322787 0.84 ALDH1A1 (0.40) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL240521 0.80 ZDHHC7 (0.47) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL1732642 0.80
SCHEMBL1286734 0.80 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL1732696 0.80
SCHEMBL189345 0.80
SCHEMBL36999 0.80 ZDHHC7 (0.47) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL14016338 0.80 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL9128077 0.78
SCHEMBL123249 0.78

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-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed