SCHEMBL20714652

SCHEMBL20714652

C=C(C)NCCCCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX1 P07099 4/20 0.37
LMNA P02545 2/20 0.37
PAOX Q6QHF9 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ADRA1A P35348 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH2 P05091 1/20 0.31

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
SCHEMBL20102811 1.00 KDM4E (0.39) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL23451084 1.00 KDM4E (0.39) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL15583521 0.98 LMNA (0.39) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL14269798 0.91 LMNA (0.35) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL25517190 0.86 LMNA (0.43) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL24103200 0.83 KDM4E (0.52) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL19058821 0.81
SCHEMBL21107585 0.81 LMNA (0.36) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL23807229 0.81 LMNA (0.36) KDM4EMAPK1HIF1AEPHX1LMNA
SCHEMBL21105933 0.81 LMNA (0.36) KDM4EMAPK1HIF1AEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229897-B2 Carbon dioxide sorbents for air quality control BASF CORPORATION (US) 2022-01-25 US disclosed
WO-2019060634-A1 METHODS FOR THE TREATMENT OF CYSTEAMINE SENSITIVE DISORDERS THIOGENESIS THERAPEUTICS, INC. (US) 2019-03-28 WO disclosed
US-20190039047-A1 CARBON DIOXIDE SORBENTS FOR AIR QUALITY CONTROL BASF MOBILE EMISSIONS CATALYSTS LLC 2019-02-07 US disclosed