SCHEMBL2553801

SCHEMBL2553801

O=CCCN1CCCC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A1 P30531 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.35
PDCD1 Q15116 1/20 0.35

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
SCHEMBL2553857 0.89 PDCD1 (0.40) ALDH1A1HRH2HRH1HRH3PDCD1
SCHEMBL8641159 0.86 HTR1A (0.43) ALDH1A1HTR1AHRH2HRH1HRH3
SCHEMBL6992693 0.81 ALDH1A1 (0.46) ALDH1A1HTR1AKDM4EHRH2HRH1
SCHEMBL12161416 0.81 GNAI3 (0.41) ALDH1A1HTR1AKDM4EHRH2HRH1
SCHEMBL29955851 0.79 CYP2D6 (0.42) ALDH1A1TSHRSLC6A1LMNACYP1A2
SCHEMBL2560473 0.78 KDM4E (0.44) ALDH1A1KDM4EHRH3HPGDSMN1; SMN2
SCHEMBL15330733 0.78 PTPN11 (0.36) ALDH1A1TSHRSLC6A1LMNACYP1A2
SCHEMBL31124157 0.78 SLC6A1 (0.35) ALDH1A1HRH3TSHRSLC6A1LMNA
SCHEMBL12193442 0.76 ALDH1A1 (0.49) ALDH1A1HTR1AKDM4EHRH2HRH1
SCHEMBL12193444 0.76 ALDH1A1 (0.49) ALDH1A1HTR1AKDM4EHRH2HRH1

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