SCHEMBL11066022

SCHEMBL11066022

COC(C(=O)O)c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.49
PTGS1 P23219 1/20 0.49
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 1/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
AKR1C3 P42330 1/20 0.46
HTT P42858 5/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45

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
SCHEMBL11064930 0.87 MAPT (0.47) CHRM1PTGS1ALDH3A1ALDH1A3MAPT
SCHEMBL10994119 0.87 CHRM1 (0.51) CHRM1PTGS1ALDH1A3MAPTSMN1; SMN2
SCHEMBL2387658 0.81 HIF1A (0.50) MAPTAKR1C3HTTMAPK1MEN1
SCHEMBL22296418 0.76 MAPT (0.58) CHRM1PTGS1ALDH3A1ALDH1A3MAPT
SCHEMBL4771225 0.76 AKR1C3 (0.48) SMN1; SMN2AKR1C3HTTALDH1A1LMNA
SCHEMBL2387188 0.74 ALDH1A1 (0.50) MAPTSMN1; SMN2GAAAKR1C3HTT
SCHEMBL2387463 0.74 SMN1; SMN2 (0.55) MAPTSMN1; SMN2GAAHTTMAPK1
SCHEMBL10984624 0.74 ALDH1A1 (0.44) CHRM1PTGS1ALDH1A3MAPTSMN1; SMN2
SCHEMBL10957987 0.73 SMN1; SMN2 (0.51) ALDH3A1ALDH1A3MAPTSMN1; SMN2GAA
SCHEMBL1665694 0.72 SMN1; SMN2 (0.59) ALDH3A1ALDH1A3MAPTSMN1; SMN2GAA

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-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed