SCHEMBL4583589

SCHEMBL4583589

CCCCCC(N)NCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
LMNA P02545 4/20 0.42
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
TP53 P04637 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
LAP3 P28838 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27362456 0.94 DPP7 (0.40) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL10752575 0.86 LMNA (0.48) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL3295350 0.85
SCHEMBL10457082 0.85 OPRM1 (0.48) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL20875301 0.85 OPRM1 (0.48) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL974525 0.85
SCHEMBL9163909 0.83 OPRM1 (0.46) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL28985254 0.83 OPRM1 (0.46) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL28542120 0.83 OPRM1 (0.46) OPRM1LMNACYP2D6SPHK1TP53
SCHEMBL9691923 0.83 OPRM1 (0.46) OPRM1LMNACYP2D6SPHK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101144174-B Method for forming surface-treating film KANSAI PAINT CO LTD 2011-01-26 CN disclosed
CN-101006150-B Electrodeposition coating composition and coated article KANSAI PAINT CO LTD 2010-06-16 CN disclosed
CN-101157748-A Novel degradable net-structural polyurethane/urea and method for making same UNIV QINGDAO SCIENCE & TECHNOLOGY (CN) 2008-04-09 CN disclosed
US-20080081870-A1 Size composition BAYER MATERIALSCIENCE AG (DE) 2008-04-03 US disclosed
EP-1905788-A2 Sizing composition Bayer MaterialScience AG (DE) 2008-04-02 EP disclosed
CN-101153113-A Sizing composition BAYER MATERIALSCIENCE AG (DE) 2008-04-02 CN disclosed
CN-101144174-A Method for forming surface-treating film KANSAI PAINT CO LTD (JP) 2008-03-19 CN disclosed
CN-101006150-A Electrodeposition coating composition and coated article KANSAI PAINT CO LTD (JP) 2007-07-25 CN disclosed
US-4077920-A Flame- and smoke-resistant polyurethane foam and a method for producing said foam BRIDGESTONE TIRE COMPANY LIMITED (JA) 1978-03-07 US disclosed