SCHEMBL8306214

SCHEMBL8306214

CC(O)OCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
KCNH2 Q12809 4/20 0.43
PPARA Q07869 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PPARG P37231 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL8301480 0.83 LMNA (0.43) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL20628680 0.79 KCNH2 (0.44) IGF1RALOX15KCNH2PPARAPPARG
SCHEMBL11959919 0.77 KCNH2 (0.49) IGF1RALOX15KCNH2PPARAHDAC3
SCHEMBL27564195 0.77 IGF1R (0.52) IGF1RALOX15KCNH2PPARAHDAC3
SCHEMBL6905786 0.76 KCNH2 (0.56) IGF1RALOX15KCNH2HDAC3HDAC4
SCHEMBL28966782 0.75 IGF1R (0.61) IGF1RALOX15KCNH2HDAC3HDAC4
SCHEMBL1115439 0.75 IGF1R (0.61) IGF1RALOX15KCNH2HDAC3HDAC4
SCHEMBL9760951 0.75 IDO1 (0.52)
SCHEMBL11959867 0.74 IGF1R (0.48) IGF1RALOX15KCNH2HDAC3HDAC4
SCHEMBL20079980 0.74 IDO1 (0.48) PPARAPPARG

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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed