SCHEMBL2558581

SCHEMBL2558581

O=Cc1ccc(OC2(C(=O)O)CCSCC2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 13/20 0.36
ALDH1A3 P47895 2/20 0.35
AOX1 Q06278 1/20 0.33
ALDH3A1 P30838 1/20 0.33
TSHR P16473 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
SCHEMBL2563226 0.88 TTR (0.42) TTRALDH1A1HPGDALDH1A3AOX1
SCHEMBL2562038 0.87 TTR (0.41) TTRALDH1A1HPGDALDH1A3AOX1
SCHEMBL2557449 0.86 TTR (0.37) TTRALDH1A1HPGDALDH1A3AOX1
SCHEMBL2559320 0.86 ALDH1A3 (0.45) TTRALDH1A1HPGDALDH1A3AOX1
SCHEMBL2562277 0.78 KMT2A (0.38) ALDH1A1ALDH1A3
SCHEMBL2561680 0.76 SRC (0.42) ALDH1A1HPGD
SCHEMBL2553808 0.71 KMT2A (0.37) ALDH1A1ALDH1A3
SCHEMBL2555944 0.70 SRC (0.41) ALDH1A1HPGD
SCHEMBL18209464 0.66 TDP1 (0.66) TTRALDH1A1TSHR
SCHEMBL20570936 0.66 TDP1 (0.42) ALDH1A1HPGDTSHR

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