SCHEMBL6282240

SCHEMBL6282240

CCCCCCC1=CC(=O)CCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ALOX5 P09917 11/20 0.39
PTGS2 P35354 3/20 0.39
GLS2 Q9UI32 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL3505646 0.98 GPR84 (0.40) GPR84ACHEBACE1ALOX5PTGS2
SCHEMBL4869101 0.92 MAPT (0.35) GPR84ACHEBACE1ALOX5PTGS2
SCHEMBL4865720 0.89 ALOX5 (0.34) ACHEBACE1ALOX5PTGS2
SCHEMBL4867436 0.89 ACHE (0.43) GPR84ACHEBACE1ALOX5PTGS2
SCHEMBL1021982 0.86 ACHE (0.40) GPR84ACHEBACE1ALOX5PTGS2
SCHEMBL3936524 0.84 MAPT (0.38)
SCHEMBL3387143 0.81 ALOX5 (0.36) GPR84ALOX5
SCHEMBL3387307 0.81 ALOX5 (0.36) GPR84ALOX5
SCHEMBL3388547 0.81 ALOX5 (0.36) GPR84ALOX5
SCHEMBL3388090 0.81 ALOX5 (0.36) GPR84ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996392-B Pesticidal composition and pest control method 三井化学AGRO株式会社 2022-06-24 CN disclosed
US-6852248-B1 Dopants for liquid-crystal devices HRL LABORATORIES, LLC (US) 2005-02-08 US disclosed
EP-1173412-A1 DOPANTS FOR LIQUID-CRYSTAL DEVICES HRL Laboratories, LLC (US) 2002-01-23 EP disclosed
WO-2000059872-A1 DOPANTS FOR LIQUID-CRYSTAL DEVICES HRL LABORATORIES, LLC (US) 2000-10-12 WO disclosed