SCHEMBL17304541

SCHEMBL17304541

CCCOCCN(C)c1nc(OC)nc(OC)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.35
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CTSK P43235 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 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
SCHEMBL11765015 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2GAAKCNQ3KCNQ2
SCHEMBL11765516 0.71 ALDH1A1 (0.39) HTTALDH1A1CYP1A2GAAKCNQ3
SCHEMBL11785828 0.67 CYP1A2 (0.51) HTTALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL11795651 0.66 CYP1A2 (0.53) HTTALDH1A1CYP1A2GAATSHR
SCHEMBL11785951 0.65 HTT (0.47) HTTALDH1A1CYP1A2GAATSHR
SCHEMBL21030127 0.64 GBA1 (0.33) HTTALDH1A1
SCHEMBL10965199 0.63 MAPT (0.44) HTTALDH1A1CYP1A2TSHRL3MBTL1
SCHEMBL2361608 0.63
SCHEMBL4633781 0.63 LMNA (0.37) HTTALDH1A1TSHR
SCHEMBL14236888 0.62 ALDH1A1 (0.40) HTTALDH1A1CYP1A2GAAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109990-A1 HYALURONIC ACID DERIVATIVE HAVING A REDUCED POLARITY, METHOD OF PREPARATION THEREOF, COMPOSITION AND USE THEREOF CONTIPRO A.S. (CZ) 2023-06-22 WO disclosed
WO-2018095578-A1 MATERIAL FOR A BONE IMPLANT AND METHOD FOR PRODUCING THE SAME STIMOS GMBH (DE) 2018-05-31 WO disclosed
WO-2015181369-A1 CROSS-LINKED HYALURONIC ACID GRAFTED WITH DEXTRAN GALDERMA S.A. (CH) 2015-12-03 WO disclosed