SCHEMBL31607433

SCHEMBL31607433

CCCCCCCCC1=COC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
GPR84 Q9NQS5 7/20 0.34
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
ELANE P08246 3/20 0.33
MAPT P10636 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALOX5 P09917 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
SCHEMBL31607268 1.00 CYP1A2 (0.38) CYP1A2ACHEBACE1SIRT2GPR84
SCHEMBL31607267 1.00 CYP1A2 (0.38) CYP1A2ACHEBACE1SIRT2GPR84
SCHEMBL30886701 0.98 CYP1A2 (0.35) CYP1A2ACHEBACE1SIRT2GPR84
SCHEMBL664979 0.84 ELANE (0.37) CYP1A2ACHEBACE1GPR84ELANE
SCHEMBL4951065 0.77
SCHEMBL5105798 0.76 CTRC (0.33) CYP1A2MAPTTHRB
SCHEMBL6711983 0.75
SCHEMBL4867436 0.72 ACHE (0.43) ACHEBACE1GPR84ALOX5
Water SCHEMBL8997397 0.70 PTGS2 (0.33) ACHETHRATHRB
SCHEMBL6545218 0.69 NPC1 (0.33) CYP1A2ACHE

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-120091758-A Arthropod control composition 弗门尼舍有限公司 2025-06-03 CN disclosed