SCHEMBL30940604

SCHEMBL30940604

C#CCCCCCCCC(O)CCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.58
CYP3A4 P08684 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FFAR4 Q5NUL3 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 1/20 0.50
GPR84 Q9NQS5 5/20 0.47
NFKB1 P19838 1/20 0.44

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
SCHEMBL30940599 1.00 USP2 (0.58) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL5808428 1.00 USP2 (0.58) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL15365231 0.98 USP2 (0.56) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL5606115 0.91 FFAR4 (0.48) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL5606111 0.91 FFAR4 (0.48) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL10616236 0.89 USP2 (0.55) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL15027439 0.89 USP2 (0.69) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL10081318 0.87 USP2 (0.65) USP2CYP3A4SMN1; SMN2FFAR4MEN1
SCHEMBL23789287 0.82 FFAR1 (0.67) FFAR4FFAR1GPR84NFKB1
SCHEMBL865728 0.82 FFAR1 (0.67) FFAR4FFAR1GPR84NFKB1

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
CN-118369427-A Extrahepatic delivery IRNA compositions and methods of use thereof 阿尔尼拉姆医药品有限公司 2024-07-19 CN claimed
CN-118369427-A Extrahepatic delivery IRNA compositions and methods of use thereof 阿尔尼拉姆医药品有限公司 2024-07-19 CN disclosed