SCHEMBL7817080

SCHEMBL7817080

CCOC(=O)C#CC(O)c1ccc(OCOC)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 10/20 0.39
NPC1 O15118 9/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 3/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
USP10 Q14694 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL7824084 0.92 MAPT (0.42) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL7823532 0.83 MAPT (0.42) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8068471 0.83 ALDH1A1 (0.36) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL7868341 0.81 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7830193 0.81 ALDH1A1 (0.35) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL7815755 0.79 RECQL (0.40) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL7827925 0.79 ALDH1A1 (0.50) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL5515200 0.78 ALDH1A1 (0.47) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8057711 0.78 HTT (0.49) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7822888 0.76 ALDH1A1 (0.41) ALDH1A1LMNARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed