SCHEMBL29973085

SCHEMBL29973085

O=C(O)CC1(CC(=O)O)CCCCCNNN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
CACNA2D1 P54289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 2/20 0.33

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
SCHEMBL8134719 0.80 SLC6A1 (0.35) CYP2C19CYP1A2
SCHEMBL6534666 0.74 SLC6A1 (0.41) CYP1A2
SCHEMBL31087758 0.73 CYP2C19 (0.36) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL2094040 0.73 USP2 (0.40) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL16447201 0.73 USP2 (0.40) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL2284853 0.73 USP2 (0.40) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL1287846 0.71 USP2 (0.39) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL28859056 0.70
SCHEMBL28384638 0.70
SCHEMBL3730156 0.70 USP2 (0.37) CYP2C19CYP1A2USP2ALDH1A1LMNA

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
EP-4466023-A1 PROCESS FOR THE PREPARATION OF ANTIBODY-DRUG CONJUGATES Mc SAF (FR) 2024-11-27 EP disclosed
WO-2023135397-A1 PROCESS FOR THE PREPARATION OF ANTIBODY-DRUG CONJUGATES MC SAF (FR) 2023-07-20 WO disclosed
JP-2023067778-A Manufacturing method of nanodiamond coordinated with radioactive metal gallium 行政院原子能委員會核能研究所 2023-05-16 JP disclosed
CN-113368264-B Radiolabeled cinnamycin, preparation method and application thereof 南方医科大学南方医院 2022-09-30 CN disclosed