SCHEMBL2557449

SCHEMBL2557449

O=Cc1ccc(OC2(C(=O)O)CCCSC2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.37
HPGD P15428 13/20 0.36
ALDH1A1 P00352 2/20 0.36
ALDH1A3 P47895 1/20 0.35
CYP1A2 P05177 1/20 0.32
AOX1 Q06278 1/20 0.31
MAP4K4 O95819 1/20 0.31

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 0.87 TTR (0.42) TTRHPGDALDH1A1ALDH1A3AOX1
SCHEMBL2558581 0.86 TTR (0.39) TTRHPGDALDH1A1ALDH1A3AOX1
SCHEMBL2562038 0.86 TTR (0.41) TTRHPGDALDH1A1ALDH1A3AOX1
SCHEMBL2559320 0.80 ALDH1A3 (0.45) TTRHPGDALDH1A1ALDH1A3AOX1
SCHEMBL2557088 0.80 MAP4K4 (0.37) ALDH1A1ALDH1A3MAP4K4
SCHEMBL2559418 0.78 SRC (0.40) HPGDALDH1A1MAP4K4
SCHEMBL2553808 0.71 KMT2A (0.37) ALDH1A1ALDH1A3MAP4K4
SCHEMBL2555944 0.70 SRC (0.41) HPGDALDH1A1
SCHEMBL9717633 0.65 MAP4K4 (0.33) MAP4K4
SCHEMBL2563548 0.65 MAP4K4 (0.43) ALDH1A1ALDH1A3MAP4K4

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