SCHEMBL2556415

SCHEMBL2556415

CCCCCc1ccc(-c2ccc(B(O)O)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.54
LPL P06858 8/20 0.54
TRPV1 Q8NER1 4/20 0.53
MGLL Q99685 2/20 0.53
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ESR1 P03372 1/20 0.38
ESRRG P62508 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4949286 0.85 KCNH2 (0.41) TRPV1MEN1ALDH1A1POLBMAPT
SCHEMBL4950539 0.85 KCNH2 (0.41) TRPV1MEN1ALDH1A1POLBMAPT
SCHEMBL4947793 0.85 KCNH2 (0.41) TRPV1MEN1ALDH1A1POLBMAPT
SCHEMBL4949276 0.84 KCNH2 (0.40) TRPV1MEN1ALDH1A1POLBMAPT
SCHEMBL6657730 0.83 APP (0.52) TRPV1ESR1ESR2ALDH1A1MAPT
SCHEMBL2247644 0.82 KCNH2 (0.39) TRPV1ESR1ESR2
SCHEMBL4948080 0.82 KCNH2 (0.39) TRPV1MEN1ALDH1A1POLBMAPT
SCHEMBL10015617 0.82 KCNH2 (0.39) TRPV1ESR1ESR2
SCHEMBL5353884 0.82 KCNH2 (0.39) TRPV1ESR1ESR2
SCHEMBL2767901 0.82 KCNH2 (0.39) TRPV1ESR1ESR2

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