SCHEMBL28547262

SCHEMBL28547262

CCCCCCCCC(C)CC(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
FAAH O00519 7/20 0.45
CNR2 P34972 1/20 0.43
GPR84 Q9NQS5 4/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL28212655 0.98 ALDH1A1 (0.45) ALDH1A1ZDHHC2ACE2FAAHCNR2
SCHEMBL28246517 0.94 ELANE (0.43) ZDHHC2FAAHCNR2PPARGPPARA
SCHEMBL6237740 0.88 ELANE (0.46) ALDH1A1PPARGPPARA
SCHEMBL27890111 0.87 ACE2 (0.47) ALDH1A1ZDHHC2ACE2FAAHCNR2
SCHEMBL5076058 0.87 ZDHHC2 (0.50) ALDH1A1ZDHHC2FAAHCNR2GPR84
SCHEMBL5075409 0.87 ZDHHC2 (0.50) ALDH1A1ZDHHC2FAAHCNR2GPR84
SCHEMBL5079134 0.87 ZDHHC2 (0.50) ALDH1A1ZDHHC2FAAHCNR2GPR84
SCHEMBL5075436 0.87 ZDHHC2 (0.50) ALDH1A1ZDHHC2FAAHCNR2GPR84
SCHEMBL9069101 0.85 GPR84 (0.58) ALDH1A1ZDHHC2FAAHCNR2GPR84
SCHEMBL9070555 0.85 GPR84 (0.58) ALDH1A1ZDHHC2FAAHCNR2GPR84

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
CN-109096630-B Preparation method of composite fixable root-resisting agent for planting roof 湖北工业大学 2020-11-10 CN disclosed