SCHEMBL29956576

SCHEMBL29956576

CC(C)Sc1ccc(B(O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 3/20 0.34
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
ENPP2 Q13822 3/20 0.31
CA1 P00915 2/20 0.31
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30
TSHR P16473 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
SCHEMBL212497 0.79 CA2 (0.38) CA2LPLLIPGENPP2CA1
SCHEMBL29802448 0.79 CA2 (0.38) CA2LPLLIPGENPP2CA1
SCHEMBL1269058 0.77 CXCR2 (0.36) RAB9ACA2LPLLIPGCA1
Water SCHEMBL1961682 0.77 CA2 (0.37) CA2LPLLIPGENPP2CA1
SCHEMBL850656 0.74 LPL (0.41) NPC1RAB9ACA2LPLLIPG
SCHEMBL31276726 0.74 LPL (0.41) NPC1RAB9ACA2LPLLIPG
SCHEMBL10834675 0.72 NPC1 (0.38) NPC1RAB9A
SCHEMBL24502974 0.71 CA12 (0.39) NPC1RAB9ACA2CA1
SCHEMBL31267020 0.71 RAB9A (0.38) NPC1RAB9A
SCHEMBL4255938 0.71 RAB9A (0.38) NPC1RAB9A

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