SCHEMBL2553786

SCHEMBL2553786

CC(=O)c1ccc(SC(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD17B1 P14061 1/20 0.39
MAP2K7 O14733 1/20 0.39
ELANE P08246 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL5319294 0.82 HPGD (0.61) HPGDLMNAL3MBTL1ALDH1A1HTT
SCHEMBL10455020 0.80 KDM4E (0.47) HPGDLMNAALDH1A1HTTKDM4E
SCHEMBL11574943 0.80 HPGD (0.57) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL5110593 0.80 GAA (0.53) HPGDLMNAALDH1A1HTTKDM4E
SCHEMBL10455022 0.80 KDM4E (0.47) HPGDLMNAALDH1A1HTTKDM4E
SCHEMBL1931354 0.79 KDM4E (0.51) LMNAL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7048451 0.78 MEN1 (0.51) HPGDLMNAALDH1A1HTTKDM4E
SCHEMBL7398296 0.78 CYP2C9 (0.66) HPGDLMNAL3MBTL1ALDH1A1HTT
SCHEMBL875038 0.78 KDM4E (0.46) HPGDLMNAALDH1A1HTTKDM4E
SCHEMBL10871420 0.77 HPGD (0.55) HPGDLMNAL3MBTL1ALDH1A1HTT

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