SCHEMBL23937267

SCHEMBL23937267

COC(=O)C1CCN(C(=O)I)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.55
ALDH1A1 P00352 8/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3861785 0.86 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL22539603 0.82 SMN1; SMN2 (0.59) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL10178373 0.82 SMN1; SMN2 (0.59) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL5271075 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL485162 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL6981751 0.81 ALDH1A1 (0.60) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL6978823 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL13041496 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL718121 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL14902197 0.79 ALDH1A1 (0.59) SMN1; SMN2GAAPOLBTP53ALDH1A1

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
EP-3895539-A1 SOLID PREPARATION FROM HERBICIDE COMPOSITION AND PREPARATION METHOD THEREFOR Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2021-10-20 EP disclosed