SCHEMBL8830804

SCHEMBL8830804

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33

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
SCHEMBL8830938 0.89 KDM4E (0.34) POLBTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL8830877 0.88 POLB (0.41) POLBSSTR1SSTR4MEN1KMT2A
SCHEMBL2033491 0.86 POLB (0.43) POLBSSTR1SSTR4MEN1KMT2A
SCHEMBL8830967 0.86 PDCD1 (0.43) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8830761 0.86 POLB (0.40) POLBTDP1SSTR1SSTR4MEN1
SCHEMBL8830767 0.86 NR1H4 (0.35) MEN1KMT2A
SCHEMBL8830666 0.85 EPHX1 (0.36) MEN1KMT2ATSHR
SCHEMBL5348003 0.84 POLB (0.55) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL8830747 0.84 SMN1; SMN2 (0.42) POLBSMN1; SMN2
SCHEMBL6052983 0.82 POLB (0.40) POLBSSTR1SSTR4MEN1KMT2A

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