SCHEMBL2556812

SCHEMBL2556812

CC(=O)c1ccc(OC2(C(=O)O)CCSC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAOB P27338 1/20 0.37
STS P08842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
ESRRA P11474 1/20 0.34
HTT P42858 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
SCHEMBL2561818 0.80 MAPT (0.48) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL2557458 0.79 MAPT (0.47) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL15331180 0.78 SMN1; SMN2 (0.46) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL2562277 0.74 KMT2A (0.38) MAPTLMNASMN1; SMN2STSALDH1A1
SCHEMBL24724755 0.71 MAPT (0.48) MAPTRAB9AHPGDL3MBTL1GAA
SCHEMBL28581458 0.67 LMNA (0.52) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL14447009 0.66 LMNA (0.44) L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL28600299 0.66 ELANE (0.51) GAASTSALDH1A1POLBKMT2A
SCHEMBL2559861 0.65 MAOB (0.49) MAPTRAB9AL3MBTL1SMN1; SMN2MAOB
SCHEMBL2551684 0.64 MAOB (0.48) RAB9AGAAMAOBALDH1A1NPSR1

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