SCHEMBL12501883

SCHEMBL12501883

CCCCCCCCCCCC1=CC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ ALOX5 P09917 10/20 0.44
▸ PTGS2 P35354 5/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ GLS2 Q9UI32 1/20 0.44
▸ GPR84 Q9NQS5 8/20 0.40
▸ MPEG1 Q2M385 3/20 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
SCHEMBL65638 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578876 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578870 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL14720387 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL36399 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578823 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578445 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578738 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL465095 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL30091820 1.00 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 — — WO disclosed
WO-2012103156-A1 SURFACTANTS Amyris, Inc. (US) 2012-08-02 — — WO disclosed
Send feedback