SCHEMBL2557155

SCHEMBL2557155

CC(CNCCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.40
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
ENPEP Q07075 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL11316232 0.83 APAF1 (0.47) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL30776006 0.82 GABRR1 (0.54) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL29951881 0.82 ANPEP (0.44) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL18197368 0.82 APAF1 (0.40) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL31275988 0.80 APAF1 (0.43) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL6050199 0.80 APAF1 (0.39) APAF1GABRR1CYP1A2FOLH1NAALAD2
Diethanolamine SCHEMBL8859117 0.78 ALDH1A1 (0.37) FOLH1NAALAD2CYP3A4TSHRCYP2C19
SCHEMBL9062695 0.78 PAOX (0.47) CYP2C19ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27818339 0.77 APAF1 (0.37) APAF1GABRR1CYP1A2FOLH1NAALAD2
Methylmalonic Acid SCHEMBL5874132 0.76 ALDH1A1 (0.36) FOLH1NAALAD2CYP3A4TSHRCYP2C19

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