SCHEMBL2557359

SCHEMBL2557359

CCCCCOc1ccc(-c2ccc(B(O)O)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.44
LIPG Q9Y5X9 8/20 0.44
TRPV1 Q8NER1 1/20 0.43
MGLL Q99685 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RARB P10826 3/20 0.35
NR5A1 Q13285 1/20 0.34
ESR1 P03372 1/20 0.34
ESRRG P62508 1/20 0.34
ESR2 Q92731 1/20 0.34
MCHR1 Q99705 2/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL2556415 0.77 LIPG (0.54) LPLLIPGTRPV1MGLLCA1
SCHEMBL13410179 0.76 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6RARBNR5A1
SCHEMBL29951823 0.75 NR5A1 (0.40) LPLLIPGTRPV1MGLLCA1
SCHEMBL2555796 0.75 RARB (0.58) LPLLIPGTRPV1MGLLCA1
SCHEMBL2560974 0.74 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6RARBNR5A1
SCHEMBL5392482 0.74 RARB (0.60) LPLLIPGTRPV1MGLLCA1
SCHEMBL1792038 0.74 RARB (0.60) LPLLIPGTRPV1MGLLCA1
SCHEMBL7698504 0.74 RARB (0.60) LPLLIPGTRPV1MGLLCA1
SCHEMBL3039053 0.74 RARB (0.60) LPLLIPGTRPV1MGLLCA1
SCHEMBL6658586 0.73 HSD17B10 (0.46) LPLLIPGCYP3A4RARBESR1

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