SCHEMBL2563799

SCHEMBL2563799

COc1cc(C(=O)O)ccc1-c1ccccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TTR P02766 2/20 0.51
HTT P42858 2/20 0.50
ERN1 O75460 5/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 3/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
BCHE P06276 1/20 0.44
MAPT P10636 1/20 0.44
PTPRC P08575 2/20 0.43

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
SCHEMBL2043219 0.85 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL29788322 0.85 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL2773191 0.83 CA1 (0.74) CA12CA1CA2CA4CA6
SCHEMBL2773418 0.81 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL2557138 0.81 PTPN7 (0.48) TTRTSHRMAPTPTPRCTDP1
SCHEMBL6781294 0.81 HTT (0.59) CA12CA1CA2CA4CA6
SCHEMBL2558291 0.80 TTR (0.50) CA12CA1CA2CA4CA6
SCHEMBL2961633 0.80 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL17229426 0.80 ALDH1A1 (0.53) TTRERN1TSHRLMNARAB9A
SCHEMBL2036466 0.79 AKR1C3 (0.63) CA12CA1CA2CA4CA6

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