SCHEMBL2559964

SCHEMBL2559964

CCCC(C)COc1ccccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.50
ENPP2 Q13822 2/20 0.46
GPR88 Q9GZN0 15/20 0.38
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37

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
SCHEMBL2558821 0.87 LIPE (0.53) LIPEENPP2GPR88ORAI1ORAI2
SCHEMBL1648162 0.81 LIPE (0.58) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL29951192 0.81 LIPE (0.58) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL2558924 0.80 ABCB1 (0.38)
SCHEMBL17825551 0.78 LIPE (0.54) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL23222172 0.77 L3MBTL1 (0.50) GPR88
SCHEMBL21352401 0.76 LIPE (0.56) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL1684575 0.75 LIPE (0.59) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL29952366 0.75 LIPE (0.59) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL10821861 0.75 KDM4E (0.52) GPR88

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