SCHEMBL19691978

SCHEMBL19691978

C=CCNCCCOCCOCCOCCCNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 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
SCHEMBL23631421 0.86 TSHR (0.42) KDM4EALDH1A1GAALMNAKMT2A
SCHEMBL5701732 0.82 ADRB2 (0.40) KDM4EALDH1A1GAAUSP2LMNA
SCHEMBL20556415 0.82 TSHR (0.40) ALDH1A1KMT2ANPC1RAB9APOLB
SCHEMBL8958265 0.82 TSHR (0.40) ALDH1A1KMT2ANPC1RAB9APOLB
SCHEMBL8958187 0.80 TSHR (0.41) ALDH1A1GAANPC1RAB9APOLB
SCHEMBL19691961 0.79 ZDHHC20 (0.49) ALDH1A1GAANPC1RAB9ATDP1
SCHEMBL15561505 0.78 SMN1; SMN2 (0.40) KDM4EALDH1A1GAALMNAKMT2A
SCHEMBL21069080 0.74 MEN1 (0.46) GAAKMT2ANPC1RAB9AMEN1
SCHEMBL18106232 0.74 ZDHHC20 (0.33) KDM4EALDH1A1GAALMNAKMT2A
Ethylene Glycol SCHEMBL8958263 0.74 ACHE (0.38) ALDH1A1GAASMN1; SMN2TSHRMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3469009-B1 SOLID SUPPORT LIFE TECH AS (NO) 2022-04-13 EP disclosed
US-11041068-B2 Solid support LIFE TECHNOLOGIES AS (NO) 2021-06-22 US disclosed
US-20190264017-A1 SOLID SUPPORT LIFE TECHNOLOGIES AS (NO) 2019-08-29 US disclosed
EP-3469009-A1 SOLID SUPPORT Life Technologies AS (NO) 2019-04-17 EP disclosed
WO-2017211913-A1 SOLID SUPPORT LIFE TECHNOLOGIES AS (NO) 2017-12-14 WO disclosed