SCHEMBL1573396

SCHEMBL1573396

CCCC(Cn1ccnc1C(C)c1cccc(C)c1C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
KMT2A Q03164 2/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
FPR2 P25090 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
SMO Q99835 1/20 0.32
TP53 P04637 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL1573149 0.93 PTGES (0.40) ITGB3ITGAVKMT2APTGESALOX5
SCHEMBL1573270 0.91 KMT2A (0.38) KMT2APTGESALOX5PPARGPPARA
SCHEMBL1573428 0.85 APAF1 (0.42) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1574142 0.83 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL697528 0.83 IDH1 (0.34) KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL698793 0.80 KMT2A (0.50) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL698574 0.80 KMT2A (0.50) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL696323 0.77 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4008767 0.77 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2ALDH1A1MAPTFPR2
SCHEMBL4014276 0.76 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2ALDH1A1FPR2TP53

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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed