SCHEMBL28110810

SCHEMBL28110810

CCCCCN(C(=O)OCc1ccccc1)C(C)C(=O)NC(C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MBOAT4 Q96T53 1/20 0.42
CAPN1 P07384 1/20 0.42
PAX8 Q06710 2/20 0.41
CCR6 P51684 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL28814193 0.89 SIRT2 (0.40) MAPTPAX8CCR6CTSLCTSS
SCHEMBL28110794 0.84 ALDH1A1 (0.46) L3MBTL1PAX8CCR6CTSLCTSS
SCHEMBL30744367 0.83 CETP (0.46) L3MBTL1PAX8CCR6SIRT2ALDH1A1
SCHEMBL20794168 0.77 ALDH1A1 (0.49) L3MBTL1PAX8CCR6CTSLCTSS
SCHEMBL9306416 0.76 ALDH1A1 (0.43) L3MBTL1PAX8CCR6SIRT2ALDH1A1
SCHEMBL27975610 0.76 FKBP1A (0.49) ALDH1A1
SCHEMBL25177942 0.75 ALDH1A1 (0.49) MAPTL3MBTL1PAX8CCR6ALDH1A1
SCHEMBL7438640 0.75 ALDH1A1 (0.49) MAPTL3MBTL1PAX8CCR6ALDH1A1
SCHEMBL11571244 0.74 CTRC (0.45) L3MBTL1SIRT2ALDH1A1SIRT1SIRT3
SCHEMBL19546675 0.73 CETP (0.41) L3MBTL1MBOAT4PAX8CCR6SIRT2

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-104004052-B Azepine polypeptide compounds and preparation method thereof 上海交通大学 2016-11-23 CN disclosed
CN-104004052-A Azapolypeptide compound and preparation method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 CN disclosed