SCHEMBL29004658

SCHEMBL29004658

CCCCCCCCCC(C)OCCCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CES2 O00748 1/20 0.42
LMNA P02545 2/20 0.41
EPHX2 P34913 1/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
DGKA P23743 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL29004650 1.00 FAAH (0.47) FAAHCNR1CNR2CES2LMNA
SCHEMBL29004667 1.00 FAAH (0.47) FAAHCNR1CNR2CES2LMNA
SCHEMBL13437114 0.84 TERT (0.47) FAAHCNR2LMNAFFAR1FFAR4
SCHEMBL9136425 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2
SCHEMBL10350856 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2
SCHEMBL11673316 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2
SCHEMBL3039218 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2
SCHEMBL4022359 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2
SCHEMBL4018867 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2
SCHEMBL690816 0.81 DNM1 (0.48) FAAHCNR1CNR2LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116171272-A Novel VDAC1 inhibitors 阿巴尔塞奥制药公司 2023-05-26 CN disclosed