SCHEMBL1680299

SCHEMBL1680299

[CH]=C(OCCCCS(=O)(=O)O)c1cc[c]c(OC)c1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PKM P14618 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL14605025 0.96
SCHEMBL14605019 0.79
SCHEMBL3265725 0.73 ESR1 (0.40) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL9332179 0.71 ALDH1A1 (0.39) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL876304 0.68
SCHEMBL178113 0.68 ALDH1A1 (0.44) ALDH1A1LMNARECQL
SCHEMBL2422430 0.67 TPMT (0.48) LMNARAB9ANPC1HTTKDM4E
SCHEMBL15147638 0.67 ABCB11 (0.36) KDM4ERECQL
SCHEMBL5261517 0.66 SMPD1 (0.36)
SCHEMBL9676481 0.66 CYP1A2 (0.47) ALDH1A1LMNARAB9ANPC1MAPT

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-9267951-B2 Micellar compositions for use in biological applications KING'S COLLEGE LONDON (GB) 2016-02-23 US disclosed
EP-2482856-B1 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KING S COLLEGE LONDON (GB) 2015-07-08 EP disclosed
US-20120269736-A1 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KING'S COLLEGE LONDON (GB) 2012-10-25 US disclosed
EP-2482856-A2 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KINGS COLLEGE LONDON (GB) 2012-08-08 EP disclosed
WO-2011039535-A2 MICELLAR COMPOSITIONS FOR USE IN BIOLOGICAL APPLICATIONS KING'S COLLEGE LONDON (GB) 2011-04-07 WO disclosed