SCHEMBL30148846

SCHEMBL30148846

CCOC(=O)C1(C)CC12CCCOC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F10 P00742 4/20 0.30
RECQL P46063 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
F9 P00740 1/20 0.30
F12 P00748 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 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
SCHEMBL3271811 0.78 SMN1; SMN2 (0.38) ATMPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL30148860 0.77 ALDH1A1 (0.33) POLBLMNAALDH1A1GAAL3MBTL1
SCHEMBL17027401 0.74 ATM (0.37) ATMPOLBTSHRSMN1; SMN2LMNA
SCHEMBL3273241 0.71 TSHR (0.36) TSHRLMNAALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL15416341 0.69 POLB (0.44) ATMPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL3277214 0.69 TSHR (0.35) TSHRSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL10950638 0.68 POLB (0.44) ATMPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL11242645 0.68 ATM (0.40) ATMPOLBTSHRSMN1; SMN2LMNA
SCHEMBL942419 0.68 TSHR (0.46) ATMPOLBTSHRSMN1; SMN2LMNA
SCHEMBL12951616 0.68 ALDH1A1 (0.41) ATMPOLBTSHRSMN1; SMN2LMNA

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
CN-115521325-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-12-27 CN disclosed