SCHEMBL30148862

SCHEMBL30148862

CCOC(=O)CN1CCC2(CCOC2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 3/20 0.35
ELANE P08246 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GAA P10253 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL14671150 0.84 ELANE (0.40) TSHRLMNAPOLBALDH1A1L3MBTL1
SCHEMBL14671148 0.81 KDM4E (0.39) TSHRLMNAALDH1A1L3MBTL1ELANE
SCHEMBL30148840 0.79 HSD17B10 (0.46) MCHR1TLR9TLR8TLR7HDAC6
SCHEMBL14671169 0.77 ELANE (0.42) TSHRLMNAPOLBALDH1A1RAB9A
SCHEMBL12312347 0.75 TSHR (0.47) TSHRMCHR1GAAHDAC6KDM4E
SCHEMBL14671159 0.74 KDM4E (0.40) LMNAALDH1A1RAB9AELANESMN1; SMN2
SCHEMBL23906396 0.74 ELANE (0.33) LMNAALDH1A1L3MBTL1ELANESMN1; SMN2
SCHEMBL12635472 0.73 ELANE (0.39) ALDH1A1L3MBTL1RAB9AELANEGAA
SCHEMBL24577742 0.72 KDM4E (0.36) TSHRMCHR1HDAC6KDM4E
SCHEMBL26148079 0.72 KDM4E (0.41) LMNAALDH1A1L3MBTL1ELANEGAA

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