SCHEMBL9301427

SCHEMBL9301427

CC(C)(C)OC(=O)COc1ccc(CCN)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 7/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 6/20 0.43
ALPG P10696 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PLA2G4B P0C869 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5008126 0.81 KDM4E (0.57) LMNAALDH1A1HTTMAPTNPSR1
SCHEMBL9303178 0.80 ALDH1A1 (0.53) LMNAALDH1A1HTTMAPTGAA
SCHEMBL7276072 0.79 MEN1 (0.49) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL7276084 0.79 MEN1 (0.49) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL27539557 0.78 ALDH1A1 (0.48) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL9303040 0.78 TBXA2R (0.45) ALDH1A1HTTMAPTGAAKMT2A
SCHEMBL2635654 0.77 ALDH1A1 (0.72) ALDH1A1HTTGAAKMT2AMEN1
SCHEMBL2742574 0.76 ALDH1A1 (0.61) LMNAALDH1A1HTTGAAKMT2A
SCHEMBL9325892 0.74 PTPN1 (0.49) GAAPOLB
SCHEMBL13215490 0.74 ALDH1A1 (0.43) ALDH1A1HTTMAPTKMT2AMEN1

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-5360909-A THROMBOXANE A2 ANTAGONIST TERUMO KABUSHIKI KAISHA (JP) 1994-11-01 US disclosed
EP-0562796-A1 Phenoxyacetic acid compounds and medical preparations containing them TERUMO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed