SCHEMBL29951987

SCHEMBL29951987

CCc1cc(B(O)O)cc(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.43
LIPG Q9Y5X9 9/20 0.43
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
DCTPP1 Q9H773 1/20 0.32
ESR1 P03372 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
MGLL Q99685 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ENPP2 Q13822 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL31198002 0.87 NOS3 (0.38) LPLLIPGNOS3NOS2CA2
SCHEMBL13921937 0.76 F11 (0.41) CA2CA1ENPP2
SCHEMBL695025 0.74 CYP1A2 (0.49) LPLLIPGNOS3NOS2CA2
SCHEMBL4489329 0.72 NOS3 (0.43) NOS3NOS2CA2CA1ESR1
SCHEMBL21787203 0.70 LPL (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL3791528 0.70 LPL (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL15984282 0.70 ENPP2 (0.34) LPLLIPGCA2ENPP2
SCHEMBL6464978 0.69 NOS2 (0.70) NOS3NOS2ESR1
SCHEMBL6465582 0.69 NOS3 (0.44) NOS3NOS2ESR1KDM5BHRH3
Hydrochloric Acid SCHEMBL15968547 0.69 MEN1 (0.35) LPLLIPGCA2ENPP2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed