SCHEMBL29131679

SCHEMBL29131679

COc1ncc(CC(C)C)nc1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PDE10A Q9Y233 2/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
EDNRA P25101 1/20 0.32
S1PR1 P21453 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.31
CCR4 P51679 1/20 0.31
RORC P51449 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
SCHEMBL30505752 1.00 TRPM8 (0.37) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL31442991 0.85 TRPM8 (0.38) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL28589009 0.85 TRPM8 (0.38) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL11213705 0.85 NOS3 (0.36) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL31442989 0.85 TRPM8 (0.38) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL16432838 0.85 NOS3 (0.36) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL31442993 0.84 P2RX3 (0.40) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL31442990 0.84 P2RX3 (0.35) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL16431612 0.84 PDCD1 (0.35) TRPM8NOS3NOS1NOS2PDE10A
SCHEMBL17867200 0.80 PDCD1 (0.35) TRPM8PDE10AP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675650-B Lithium ion battery electrolyte additive, lithium ion battery electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2023-10-31 CN disclosed
CN-116675650-A Lithium ion battery electrolyte additive, lithium ion battery electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2023-09-01 CN disclosed