SCHEMBL6656631

SCHEMBL6656631

CC[CH]OC(CCCCC)OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.37
OPRM1 P35372 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
LMNA P02545 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
DNM1 Q05193 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
SCHEMBL7998794 0.85
SCHEMBL6179890 0.81 SMPD1 (0.38) SMPD1OPRM1ZDHHC7LMNAADH1B
SCHEMBL167839 0.79 SMPD1 (0.46) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL873446 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL3505565 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL531066 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL826118 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL531229 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL965875 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL825730 0.77 SMPD1 (0.50) SMPD1OPRM1ZDHHC7LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033391-B1 Fluorescent tracer dyes ROHM & HAAS (US) 2004-07-21 EP disclosed
EP-0984942-B1 LIQUID BENZ-ISO-QUINOLINE DERIVATIVES UNITED COLOR MFG INC (US) 2003-09-10 EP disclosed
US-6150306-A Fluorescent tracer dyes MORTON INTERNATIOANL INC. (US) 2000-11-21 US disclosed
EP-1033391-A2 Fluorescent tracer dyes ROHM AND HAAS COMPANY (US) 2000-09-06 EP disclosed
EP-0984942-A1 LIQUID BENZ-ISO-QUINOLINE DERIVATIVES United Color Manufacturing Inc. (US) 2000-03-15 EP disclosed
US-5858930-A Liquid Benz-iso-Quinoline derivatives UNITED COLOR MANUFACTURING, INC. (US) 1999-01-12 US disclosed
WO-1998054150-A1 LIQUID BENZ-ISO-QUINOLINE DERIVATIVES UNITED COLOR MANUFACTURING, INC. (US) 1998-12-03 WO disclosed