SCHEMBL9033013

SCHEMBL9033013

CC(CCCCCC([NH])=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
CYP1A2 P05177 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
BLM P54132 1/20 0.48
GABRR1 P24046 2/20 0.45
TBXAS1 P24557 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
FAAH O00519 1/20 0.40
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL20612872 0.84 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL5977939 0.84 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL31073666 0.84 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL9001608 0.84 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL2763157 0.83 CYP1A2 (0.67) LTA4HCYP1A2ACE2BLMFFAR4
SCHEMBL22190484 0.83 LTA4H (0.62) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL2835395 0.83 CYP1A2 (0.67) LTA4HCYP1A2ACE2BLMFFAR4
SCHEMBL21998 0.83 CYP1A2 (0.67) LTA4HCYP1A2ACE2BLMFFAR4
SCHEMBL3816098 0.83 CYP1A2 (0.67) LTA4HCYP1A2ACE2BLMFFAR4
SCHEMBL3811423 0.83 CYP1A2 (0.67) LTA4HCYP1A2ACE2BLMFFAR4

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
EP-0712405-A1 DERIVATIVES OF MONIC ACIDS A AND C HAVING ANTIBACTERIAL, ANTIMYCOPLASMATICAL, ANTIFUNGAL AND HERBICIDAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
WO-1995005384-A1 DERIVATIVES OF MONIC ACIDS A AND C HAVING ANTIBACTERIAL, ANTIMYCOPLASMATICAL, ANTIFUNGAL AND HERBICIDAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-23 WO disclosed