SCHEMBL5723675

SCHEMBL5723675

[CH2]C(=O)C(C)(C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.39
FDPS P14324 1/20 0.37
CES1 P23141 5/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ACLY P53396 1/20 0.34
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 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
SCHEMBL6364655 0.84
SCHEMBL108941 0.77 CES1 (0.39) CES2FDPSCES1CYP4F2CYP4A11
SCHEMBL249872 0.77 ACLY (0.56) ALDH1A1ACLYAKR1B1ACACBACACA
SCHEMBL1327457 0.77 FDPS (0.43) CES2FDPSCES1CYP4F2CYP4A11
SCHEMBL2342593 0.77 FDPS (0.38) CES2FDPSCES1CYP4F2CYP4A11
SCHEMBL11390055 0.76 CES2 (0.45) CES2FDPSCES1
SCHEMBL6521284 0.75 ACLY (0.54) ACLYAKR1B1ACACBACACA
SCHEMBL4540511 0.75 ACLY (0.54) ACLYAKR1B1ACACBACACA
SCHEMBL22396506 0.75 ACLY (0.54) ACLYAKR1B1ACACBACACA
Hydrochloric Acid SCHEMBL5669467 0.75 ACLY (0.54) ACLYAKR1B1ACACBACACA

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
EP-1556347-A4 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2006-08-09 EP disclosed
EP-1556347-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2005-07-27 EP disclosed
WO-2003103604-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V (AN) 2003-12-18 WO disclosed
EP-0140307-A2 7-Oxabicycloheptane ethers E.R. Squibb & Sons, Inc. (US) 1985-05-08 EP disclosed