SCHEMBL8830877

SCHEMBL8830877

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8830795 0.89 POLB (0.42) POLBSMN1; SMN2SSTR1SSTR4MEN1
SCHEMBL8830804 0.88 POLB (0.41) POLBSMN1; SMN2SSTR1SSTR4TSHR
SCHEMBL8830761 0.86 POLB (0.40) POLBSMN1; SMN2SSTR1SSTR4MEN1
SCHEMBL8830841 0.78 POLB (0.38) POLBSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8830686 0.78 MEN1 (0.36) POLBSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8830938 0.77 KDM4E (0.34) POLBSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8830967 0.74 PDCD1 (0.43) SMN1; SMN2TSHRMEN1KMT2AALDH1A1
SCHEMBL8830767 0.74 NR1H4 (0.35) MEN1KMT2A
SCHEMBL2033491 0.74 POLB (0.43) POLBSMN1; SMN2SSTR1SSTR4MEN1
SCHEMBL8830666 0.74 EPHX1 (0.36) TSHRMEN1KMT2AALDH1A1

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