SCHEMBL6828062

SCHEMBL6828062

CCCCCC(C)OC(=O)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.66
CNR1 P21554 1/20 0.66
CNR2 P34972 1/20 0.66
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.44
NAAA Q02083 1/20 0.43
GPR84 Q9NQS5 4/20 0.43
LMNA P02545 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7945794 0.98 FAAH (0.69) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28507255 0.98 FAAH (0.69) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL8506456 0.98 FAAH (0.69) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28854765 0.98 FAAH (0.69) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28938753 0.98 FAAH (0.69) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28727480 0.96 FAAH (0.67) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28315601 0.96 FAAH (0.67) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL28315609 0.95 FAAH (0.65) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL4445232 0.94 FAAH (0.58) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL5467177 0.94 FAAH (0.58) FAAHCNR1CNR2ALDH1A1MAPT

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-107922575-B Process for producing rigid polyurethane foams 巴斯夫欧洲公司 2021-08-17 CN claimed
CN-110172019-B Metal salts of malonic acid as nucleating additives for crystalline thermoplastics 印度石油有限公司 2022-03-04 CN disclosed
CN-107922575-B Process for producing rigid polyurethane foams 巴斯夫欧洲公司 2021-08-17 CN disclosed
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed