SCHEMBL7269484

SCHEMBL7269484

CC(C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
HSD11B2 P80365 1/20 0.37
BRD4 O60885 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HCRTR2 O43614 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.32
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
RECQL P46063 1/20 0.30
JAK1 P23458 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL17202758 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1065953 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1065955 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL22318963 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1065951 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1066083 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL17202997 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10211341 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL11968693 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL17202995 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed