SCHEMBL12210469

SCHEMBL12210469

CC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CBLB Q13191 5/20 0.44
PAOX Q6QHF9 3/20 0.43
ADRA1A P35348 1/20 0.42
EPHX2 P34913 1/20 0.39
BBOX1 O75936 1/20 0.38
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL16864738 0.86 KDM4E (0.45) KDM4EMAPK1HIF1ACBLBPAOX
SCHEMBL19165717 0.85 EPHX2 (0.38) KDM4EMAPK1HIF1ACBLBEPHX2
SCHEMBL19734903 0.85 BBOX1 (0.58) KDM4EMAPK1HIF1ACBLBPAOX
SCHEMBL16864737 0.84 KDM4E (0.38) KDM4EMAPK1HIF1ACBLBPAOX
SCHEMBL245098 0.84 EPHX2 (0.35) KDM4EMAPK1HIF1ACBLBEPHX2
Betaine SCHEMBL11147482 0.84 TSHR (0.39) KDM4EMAPK1HIF1ACBLBPAOX
Acamprosate SCHEMBL41983 0.83 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL17754088 0.83 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
Water SCHEMBL138325 0.83 EPHX2 (0.35) KDM4EMAPK1HIF1ACBLBEPHX2
Hydrochloric Acid SCHEMBL3644710 0.83 EPHX2 (0.35) KDM4EMAPK1HIF1ACBLBEPHX2

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
US-11643590-B1 Methods and compositions of using viscoelastic surfactants as diversion agents SAUDI ARABIAN OIL COMPANY (SA) 2023-05-09 US disclosed
EP-3077476-B1 NANOCRYSTALS COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2020-02-12 EP disclosed
WO-2015082656-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2015-06-11 WO disclosed
US-8030413-B2 Biomimetic compounds and synthetic methods therefor KNC NER ACQUISITION SUB, INC. (US) 2011-10-04 US disclosed
US-20100197868-A1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR NERITES CORPORATION (US) 2010-08-05 US disclosed