SCHEMBL6687768

SCHEMBL6687768

OCCCCCn1cccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TBXAS1 P24557 3/20 0.36
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
LMNA P02545 6/20 0.33
HTT P42858 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PABPC1 P11940 2/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL3794648 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL1094031 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL6557123 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL28129874 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL5007954 0.97 TP53 (0.39) TP53TBXAS1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL27286994 0.95 TP53 (0.37) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL422470 0.89
SCHEMBL27458343 0.86 TP53 (0.46) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL20465806 0.83 TP53 (0.48) TP53TBXAS1NPC1RAB9ALMNA
SCHEMBL467081 0.77

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
EP-3729073-B1 METHOD OF DETECTING AN INSECT INFESTATION CENTRE SCIENT ET TECHNIQUE DU BATIMENT CSTB (FR) 2022-06-08 EP claimed
WO-2023198497-A1 ELECTRODE COMPRISING A COMPOSITE COATING AND ASSOCIATED MANUFACTURING METHOD UNIVERSITE GRENOBLE ALPES (FR) 2023-10-19 WO disclosed
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 WO disclosed