SCHEMBL904104

SCHEMBL904104

CC(C)(C)OC(=O)N1CC2COCC(C1)C2OS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.39
GPR119 Q8TDV5 8/20 0.38
HPGD P15428 1/20 0.35
LIPE Q05469 1/20 0.33
HSD11B1 P28845 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL31496106 0.88 NR1H2 (0.54) NR1H2USP2SMN1; SMN2RECQLGPR119
SCHEMBL30915773 0.83 NR1H2 (0.60) NR1H2USP2SMN1; SMN2RECQLGPR119
SCHEMBL17926099 0.83 NR1H2 (0.60) NR1H2USP2SMN1; SMN2RECQLGPR119
SCHEMBL29215623 0.83 NR1H2 (0.60) NR1H2USP2SMN1; SMN2RECQLGPR119
SCHEMBL16192303 0.79 NR1H2 (0.57) NR1H2USP2SMN1; SMN2GPR119HPGD
SCHEMBL20567011 0.79 NR1H2 (0.57) NR1H2USP2SMN1; SMN2GPR119HPGD
SCHEMBL372088 0.79 NR1H2 (0.57) NR1H2USP2SMN1; SMN2GPR119HPGD
SCHEMBL904004 0.79 NR1H2 (0.57) NR1H2USP2SMN1; SMN2GPR119HPGD
SCHEMBL11957185 0.79 NR1H2 (0.57) NR1H2USP2SMN1; SMN2GPR119HPGD
SCHEMBL19597436 0.79 NR1H2 (0.57) NR1H2USP2SMN1; SMN2GPR119HPGD

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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed