SCHEMBL29010448

SCHEMBL29010448

C=C(CCCC(C)C)C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
EPHX1 P07099 4/20 0.38
HTT P42858 2/20 0.35
CYP19A1 P11511 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL1401825 0.98 NAAA (0.41) NAAAEPHX1HTTCYP19A1SMN1; SMN2
SCHEMBL5158628 0.91 NAAA (0.41) NAAAEPHX1HTTCYP19A1SMN1; SMN2
SCHEMBL9009690 0.83 NAAA (0.57) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL29117609 0.83 NAAA (0.57) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL5075294 0.81 NAAA (0.64) NAAAEPHX1HTTALDH1A1MEN1
SCHEMBL2340701 0.81 EPHX1 (0.42) NAAAEPHX1HTTCYP19A1SMN1; SMN2
SCHEMBL6433418 0.80 NAAA (0.67) NAAAEPHX1HTTALDH1A1
SCHEMBL9468402 0.80 NAAA (0.67) NAAAEPHX1HTTALDH1A1
SCHEMBL28473788 0.80 NAAA (0.63) NAAAEPHX1HTTSMN1; SMN2ALDH1A1
SCHEMBL2045276 0.80 NAAA (0.41) NAAAEPHX1HTTCYP19A1SMN1; SMN2

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-116234585-A Microtubule-associated protein TAU (MAPT) iRNA agent compositions and methods of use thereof 阿尔尼拉姆医药品有限公司 2023-06-06 CN disclosed