SCHEMBL7306864

SCHEMBL7306864

COC(=O)C(OCC(N)=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIA4 P48058 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL7314000 0.85 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2KIF11
SCHEMBL9475546 0.80 KMT2A (0.50) ALDH1A1LMNAMEN1KMT2AALOX15
SCHEMBL8307755 0.73 MAPT (0.44) ALDH1A1LMNAMEN1KMT2AALOX15
SCHEMBL11014866 0.72 KMT2A (0.50) ALDH1A1LMNAKMT2AALOX15APEX1
SCHEMBL2008587 0.72 NR1H4 (0.53) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL5877820 0.71 ESR1 (0.47) ALDH1A1LMNAMEN1KMT2AALOX15
SCHEMBL11562974 0.70 MAPT (0.56) ALDH1A1LMNAMEN1KMT2AALOX15
SCHEMBL7372260 0.70 MAPT (0.44) ALDH1A1LMNAMEN1KMT2AALOX15
SCHEMBL13757731 0.70 KMT2A (0.50) ALDH1A1LMNAMEN1KMT2AALOX15
SCHEMBL28065294 0.69 KMT2A (0.55) ALDH1A1LMNAMEN1KMT2ARECQL

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-0911333-B1 Pyrazolo[4,3-d]pyrimidine derivatives and pharmaceutical compositions containing them PFIZER (US) 2002-04-10 EP disclosed
US-6235742-B1 CARDIOVASCULAR DISORDERS; ANTIALLERGENS PFIZER INC. 2001-05-22 US disclosed
EP-0911333-A1 Pyrazolo[4,3-d]pyrimidine derivatives and pharmaceutical compositions containing them PFIZER INC. (US) 1999-04-28 EP disclosed