SCHEMBL8329960

SCHEMBL8329960

O=c1ccc2cc3ccc(OCC(I)CCI)cc3oc-2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.40
CYP1A2 P05177 2/20 0.40
CA12 O43570 6/20 0.37
CA1 P00915 6/20 0.37
CA9 Q16790 6/20 0.37
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
CA5A P35218 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA2 P00918 2/20 0.34
CA3 P07451 1/20 0.34
MTNR1A P48039 1/20 0.34
POLB P06746 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL5656896 0.72 KDM4E (0.49) APPCA12CA9NPC1RAB9A
SCHEMBL8868131 0.70 S1PR1 (0.43) APPCYP1A2CA12CA1CA9
SCHEMBL308343 0.67 SHBG (0.67) APPCA12CA1CA9RAB9A
SCHEMBL307532 0.67 EGFR (0.47) APPNPC1RAB9ACA2
SCHEMBL223274 0.65 PTPRC (0.59) CA1CA9NPC1RAB9ACA2
SCHEMBL29791652 0.65 PTPRC (0.59) CA1CA9NPC1RAB9ACA2
SCHEMBL28348664 0.63 PTPRC (0.58) CA1CA9NPC1RAB9ACA2
SCHEMBL11192681 0.62 HDAC6 (0.45) CYP1A2
SCHEMBL14065432 0.60 APP (0.72) APPCYP1A2
SCHEMBL16364125 0.59 CA12 (0.71) CYP1A2CA12CA1CA9CA4

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-0758446-A4 FLUORESCENCE METHOD FOR DETERMINING PROPERTIES OF A POLYMER COATING OR FILM SPECTRA GROUP LTD INC (US) 1999-01-20 EP disclosed
US-5717217-A Method for determining thickness, degree of cure and other properties of a polymeric coating SPECTRA GROUP LIMITED, INC. (US) 1998-02-10 US disclosed
US-5606171-A USING A FLUORESCENT DETECTOR SPECTRA GROUP LIMITED, INC. (US) 1997-02-25 US disclosed
EP-0758446-A1 FLUORESCENCE METHOD FOR DETERMINING PROPERTIES OF A POLYMER COATING OR FILM SPECTRA GROUP LIMITED INC (US) 1997-02-19 EP disclosed
WO-1995030890-A1 FLUORESCENCE METHOD FOR DETERMINING PROPERTIES OF A POLYMER COATING OR FILM SPECTRA GROUP LIMITED, INC. (US) 1995-11-16 WO disclosed