SCHEMBL10568147

SCHEMBL10568147

OCC(O)COc1nc2ccc(Cl)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DYRK1A Q13627 1/20 0.40
FSCN1 Q16658 1/20 0.40
PPARA Q07869 1/20 0.40
ACHE P22303 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL11205335 0.77 KMT2A (0.59) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL11117595 0.73 PTGS1 (0.47) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL20733701 0.73 NPC1 (0.53) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL13071505 0.71 NPC1 (0.51) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL30513863 0.68 NPC1 (0.51) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL28672134 0.68 NPC1 (0.51) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL8684173 0.68 PPARA (0.45) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL30731342 0.68 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL15393164 0.67 MEN1 (0.58) KMT2ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL10432959 0.67 CYP1A2 (0.62) KMT2ASMN1; SMN2KDM4EMEN1ALDH1A1

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
US-4877878-A 2-azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, processes for the preparation thereof, agents containing same, and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
US-4818758-A FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed