SCHEMBL10146435

SCHEMBL10146435

CC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)CCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
DGAT1 O75907 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 5/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL16466248 0.88 FFAR4 (0.50) USP2SMN1; SMN2RECQLFFAR4KDM4E
SCHEMBL31270732 0.86 USP2 (0.43) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL16465129 0.82 FFAR4 (0.50) USP2SMN1; SMN2RECQLFFAR4KDM4E
SCHEMBL5765422 0.81 USP2 (0.48) USP2SMN1; SMN2RECQLKDM4EDDB1
SCHEMBL24753619 0.80 USP2 (0.47) USP2SMN1; SMN2RECQLKDM4EHPGD
SCHEMBL31693860 0.80 GPR119 (0.49) FFAR4KDM4EPKMDDB1CRBN
SCHEMBL6749163 0.78 GPR119 (0.52) USP2SMN1; SMN2KDM4EPKMDDB1
SCHEMBL20396172 0.78 USP2 (0.44) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL20396156 0.78 NR1H2 (0.48) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL18053621 0.77 USP2 (0.59) USP2SMN1; SMN2RECQLHPGDEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009217-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed