SCHEMBL20272142

SCHEMBL20272142

CC1(C)OB(c2nnc(B3OC(C)(C)C(C)(C)O3)nn2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 12/20 0.37
▸ LIPG Q9Y5X9 12/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ FFAR1 O14842 1/20 0.32
▸ ANPEP P15144 1/20 0.31
▸ LAP3 P28838 1/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 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
SCHEMBL28771993 0.72 LPL (0.35) LPLLIPGP2RX7MAPK1FFAR1
SCHEMBL25172768 0.69 LPL (0.33) LPLLIPGP2RX7MAPK1FFAR1
SCHEMBL228212 0.65 LPL (0.71) LPLLIPGCA1CA2CA9
SCHEMBL517499 0.65 LPL (0.52) LPLLIPGP2RX7MAPK1FFAR1
SCHEMBL1075777 0.65 LPL (0.41) LPLLIPGP2RX7MAPK1FFAR1
SCHEMBL25092824 0.64 LPL (0.33) LPLLIPGP2RX7MAPK1
SCHEMBL12728983 0.63 LPL (0.35) LPLLIPGP2RX7MAPK1
SCHEMBL14276108 0.63 LPL (0.43) LPLLIPGP2RX7MAPK1
SCHEMBL476906 0.62 LPL (0.44) LPLLIPGP2RX7MAPK1FFAR1
SCHEMBL16171748 0.62 LPL (0.44) LPLLIPGP2RX7MAPK1FFAR1

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
US-10003027-B2 Ladder tetrazine polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-19 — — US disclosed
US-10003027-B2 Ladder tetrazine polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-19 — — US disclosed
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