SCHEMBL2553059

SCHEMBL2553059

CCC(CC)Oc1ccc(-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
ENPP2 Q13822 1/20 0.47
MGLL Q99685 2/20 0.44
LPL P06858 7/20 0.42
LIPG Q9Y5X9 7/20 0.42
MAPT P10636 1/20 0.38
ACACB O00763 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12952792 0.94 CA2 (0.52) CA2CA1ENPP2MGLLLPL
SCHEMBL16856681 0.80 LPL (0.47) CA2CA1ENPP2MGLLLPL
SCHEMBL2558840 0.79 CA2 (0.52) CA2CA1ENPP2MGLLLPL
SCHEMBL2558214 0.78 LPL (0.44) CA2CA1ENPP2MGLLLPL
SCHEMBL11162895 0.78 ACACB (0.42) MAPTACACB
SCHEMBL23018852 0.78 CA2 (0.50) CA2CA1ENPP2MGLLLPL
SCHEMBL17108359 0.77 PPARG (0.45) MAPTACACBCYP1A2GAACYP2C9
SCHEMBL3710609 0.76 NQO1 (0.56) CA2CA1ENPP2MGLLLPL
SCHEMBL3036082 0.73 CYP2D6 (0.58) CA2CA1ENPP2MGLLLPL
SCHEMBL9893658 0.73 LTA4H (0.50) CA2CA1ENPP2MGLLLPL

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed