SCHEMBL7306860

SCHEMBL7306860

COC(=O)Cc1ccc(C(C)(C)C)cc1OCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
NR1H4 Q96RI1 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.38
REN P00797 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TNF P01375 1/20 0.36
SNCA P37840 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
SCHEMBL7313993 0.86 CYP2C19 (0.51) CYP2C19NR1H4SMN1; SMN2MEN1KMT2A
SCHEMBL7844967 0.80 CYP2C19 (0.52) CYP2C19SMN1; SMN2MEN1KMT2AHTT
SCHEMBL7846219 0.79 SNCA (0.56) CYP2C19SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7846867 0.76 CYP2C19 (0.51) CYP2C19NR1H4SMN1; SMN2LMNAMEN1
SCHEMBL13757708 0.76 CYP2C19 (0.54) CYP2C19SMN1; SMN2LMNAMAPTMEN1
SCHEMBL14472398 0.76 LMNA (0.47) CYP2C19NR1H4SMN1; SMN2LMNAMAPT
SCHEMBL25366681 0.75 MAPT (0.46) NR1H4SMN1; SMN2LMNAMAPTMEN1
SCHEMBL28194254 0.74 CYP2D6 (0.54) CYP2C19SMN1; SMN2LMNAMAPTMEN1
SCHEMBL7844241 0.73 CYP2C19 (0.51) CYP2C19NR1H4SMN1; SMN2LMNAMEN1
SCHEMBL15613307 0.73 ALDH1A1 (0.62) CYP2C19SMN1; SMN2MAPTMEN1KMT2A

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