Ethane

Ethane

SCHEMBL4005665

CC.CCCCCC1=CC(=O)NC1=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
ALOX5 P09917 9/20 0.41
PTGS2 P35354 5/20 0.41
PTPN1 P18031 1/20 0.40
GLS2 Q9UI32 1/20 0.40
GPR84 Q9NQS5 8/20 0.36
KMT2A Q03164 1/20 0.35
MPEG1 Q2M385 3/20 0.34

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
SCHEMBL437556 0.98 ACHE (0.47) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578870 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL65638 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578823 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL465095 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL36399 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578876 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL14720387 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL12501883 0.96 ACHE (0.50) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1578445 0.96 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708995-B1 ASPARTATES USEFUL AS COMPONENTS IN COATING COMPOSITIONS AND THEIR PREPARATION BAYER MATERIALSCIENCE LLC (US) 2013-02-27 EP disclosed
EP-1666461-B1 Polyaspartimides useful as reactive components for polyisocyanates in two-component polyurethane coating compositions BAYER MATERIALSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1708995-A1 ASPARTATES USEFUL AS COMPONENTS IN COATING COMPOSITIONS AND THEIR PREPARATION Bayer MaterialScience LLC (US) 2006-10-11 EP disclosed
EP-1666461-A2 Polyaspartimides useful as reactive components for polyisocyanates in two-component polyurethane coating compositions Bayer MaterialScience AG (DE) 2006-06-07 EP disclosed
WO-2005073188-A1 ASPARTATES USEFUL AS COMPONENTS IN COATING COMPOSITIONS AND THEIR PREPARATION BAYER MATERIALSCIENCE LLC (US) 2005-08-11 WO disclosed