SCHEMBL2556705

SCHEMBL2556705

CC(=O)c1cccc(NC(=O)CSCC(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
CYP1A2 P05177 2/20 0.73
NPC1 O15118 2/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
MAPT P10636 5/20 0.68
KMT2A Q03164 5/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 1/20 0.64
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.54
FABP4 P15090 2/20 0.54
TSHR P16473 1/20 0.53
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL15330683 0.83 MAPT (0.70) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL29954000 0.83 KMT2A (0.65) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL14253775 0.83 KMT2A (0.65) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL13480137 0.80 SMN1; SMN2 (0.67) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL5892567 0.78 KMT2A (0.62) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL5820518 0.78 L3MBTL1 (0.73) RAB9ACYP1A2NPC1CYP2C19MAPT
SCHEMBL29951884 0.78 KMT2A (0.76) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL15332168 0.78 KMT2A (0.62) RAB9ACYP1A2NPC1CYP3A4CYP2D6
SCHEMBL29951290 0.78 KMT2A (0.71) RAB9ACYP1A2NPC1CYP3A4CYP2C9
SCHEMBL29955477 0.77 MAPT (0.68) RAB9ACYP1A2NPC1CYP3A4CYP2D6

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