SCHEMBL14290430

SCHEMBL14290430

O=CC1Cc2ccc(Br)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.37
▸ AHR P35869 4/20 0.35
▸ PNMT P11086 8/20 0.33
▸ ADRA2A P08913 4/20 0.33
▸ ADRA2B P18089 3/20 0.33
▸ ADRA2C P18825 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CMA1 P23946 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL28699917 0.76 TYR (0.36) LMNAMAPT
SCHEMBL6209606 0.74 MAOB (0.41) CA2AR
SCHEMBL8864150 0.73 ESR1 (0.36) PBRM1AHRPNMTADRA2AADRA2B
SCHEMBL18114486 0.73 PBRM1 (0.56) PBRM1AHRPNMTADRA2AADRA2B
SCHEMBL27651808 0.73 MAOB (0.41) CA2AR
SCHEMBL13296078 0.71 SMN1; SMN2 (0.45) PBRM1AHRPNMTBLM
SCHEMBL30664932 0.71 SMN1; SMN2 (0.45) PBRM1AHRPNMTBLM
SCHEMBL27485696 0.71 CYP1A2 (0.49) ADRA2AMAPT
SCHEMBL13903616 0.70 GLS (0.40) PBRM1MAPTHTT
SCHEMBL28204525 0.70 BRD4 (0.34) PBRM1AHRBLM

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
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 — — EP disclosed
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