SCHEMBL28074491

SCHEMBL28074491

CC(C)(C)OC(=O)NC1(COC=O)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.33
P2RX7 Q99572 1/20 0.33
CTSL P07711 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
APLNR P35414 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
SCHEMBL9898935 0.84 P2RX7 (0.34) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL6703818 0.81 P2RX7 (0.35) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL17606749 0.81 TDP1 (0.36) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL22015821 0.80 APLNR (0.36) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL23538650 0.78 P2RX7 (0.34) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL23538780 0.78 P2RX7 (0.34) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL14814146 0.78 CA1 (0.35) CTSKP2RX7CTSLMEN1MAPK1
Acetic Acid SCHEMBL28797854 0.77 P2RX7 (0.34) CTSKP2RX7CTSLMEN1MAPK1
SCHEMBL23276791 0.76 CTSL (0.39) CTSKP2RX7CTSL
SCHEMBL9175696 0.76 P2RX7 (0.33) P2RX7CTSLMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed
CN-105611923-B Sodium channel modulators for the treatment of pain and diabetes 卓莫赛尔公司 2019-08-23 CN disclosed
CN-104619709-B Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-11-09 CN disclosed
CN-105611923-A Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORP 2016-05-25 CN disclosed