SCHEMBL26468958

SCHEMBL26468958

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.53
HSD11B2 P80365 1/20 0.39
BRD4 O60885 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HCRTR2 O43614 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 2/20 0.34
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
RECQL P46063 1/20 0.32
CTSK P43235 1/20 0.32
CETP P11597 1/20 0.32
GLA P06280 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL20621505 1.00 SPHK1 (0.53) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL6125269 1.00 SPHK1 (0.53) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10211328 0.88 SPHK1 (0.54) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL11956427 0.88 SPHK1 (0.54) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1526136 0.88 SPHK1 (0.50) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1067807 0.88 SPHK1 (0.50) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1067809 0.88 SPHK1 (0.50) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL16325799 0.87 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL5063645 0.87 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL14704757 0.87 SPHK1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072143-A1 CAMPTOTHECIN DERIVATIVE INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海弼领生物技术有限公司 2023-05-04 WO disclosed