SCHEMBL8830686

SCHEMBL8830686

CC(C)OC(=O)C1(Cc2ccc(Cl)cc2)CCC(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
RUNX1 Q01196 1/20 0.34
CBFB Q13951 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL5342247 0.86 TACR1 (0.44) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL29224590 0.85 SLC6A2 (0.37) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5347064 0.84 POLB (0.48) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL6052833 0.81 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL8830841 0.80 POLB (0.38) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL15824058 0.79 POLB (0.44) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL8830804 0.78 POLB (0.41) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL8830877 0.78 POLB (0.41) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL8830761 0.76 POLB (0.40) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2040672 0.73 TACR1 (0.38) MEN1KMT2ASMN1; SMN2POLBALDH1A1

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
US-5681979-A Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-10-28 US disclosed
EP-0731083-A1 Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-09-11 EP disclosed