SCHEMBL8830795

SCHEMBL8830795

COC(=O)C1(Cc2ccc(Cl)cc2)CCC(C(C)C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL8830877 0.89 POLB (0.41) POLBSSTR1SSTR4MEN1KMT2A
SCHEMBL2033491 0.85 POLB (0.43) POLBSSTR1SSTR4TACR1TACR3
SCHEMBL8830782 0.83 POLB (0.42) POLBSSTR1SSTR4TACR1TACR3
SCHEMBL9363261 0.78 POLB (0.42) POLBSSTR1SSTR4TACR1TACR3
SCHEMBL8830804 0.77 POLB (0.41) POLBSSTR1SSTR4MEN1KMT2A
SCHEMBL8830761 0.75 POLB (0.40) POLBSSTR1SSTR4MEN1KMT2A
SCHEMBL2039023 0.74 TACR1 (0.44) POLBTACR1TACR3MEN1KMT2A
SCHEMBL5342247 0.74 TACR1 (0.44) POLBSSTR1SSTR4TACR1TACR3
SCHEMBL8830753 0.73 TACR1 (0.41) POLBTACR1TACR3MEN1KMT2A
SCHEMBL9363274 0.73 TACR1 (0.44) POLBTACR1TACR3ALDH1A1SMN1; SMN2

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