SCHEMBL4453590

SCHEMBL4453590

CCCCOC(=O)/C(C)=C(/N)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 6/20 0.47
ATM Q13315 1/20 0.44
NAAA Q02083 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL1017382 1.00 ALDH1A1 (0.52) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL21814420 0.93 TSHR (0.58) ALDH1A1TSHRNAAARAB9ANPSR1
SCHEMBL3358244 0.88 TSHR (0.37) ALDH1A1TSHRNAAAHCAR2LMNA
SCHEMBL8513464 0.87 ALDH1A1 (0.50) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL3357007 0.84 ALDH1A1 (0.56) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL11445202 0.84 ALDH1A1 (0.56) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL11445204 0.84 ALDH1A1 (0.56) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL7536526 0.83 ALDH1A1 (0.65) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL5159295 0.83 ALDH1A1 (0.65) ALDH1A1TSHRATMNAAAHPGD
SCHEMBL7536522 0.83 ALDH1A1 (0.65) ALDH1A1TSHRATMNAAAHPGD

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
US-9192908-B2 Encapsulated solid hydrophilic particles ENCAPSYS, LLC (US) 2015-11-24 US disclosed
US-20130245153-A1 ENCAPSULATED SOLID HYDROPHILIC PARTICLES WELD-ON ADHESIVES, INC. 2013-09-19 US disclosed
US-7521506-B2 Emulsifier-free microgel BOLLIG & KEMPER GMBH & CO. KG (DE) 2009-04-21 US disclosed
US-20060128859-A1 Emulsifier-free microgel BOLLIG & KEMPER GMBH & CO. KG (DE) 2006-06-15 US disclosed
EP-0950070-B1 PARTICLES HAVING SURFACE PROPERTIES AND METHODS OF MAKING THEM CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-02-06 EP disclosed
US-6329057-B1 HYDROPHOBIC CORE POLYMER WITH CATIONIC SURFACE FROM VINYL COMPOUNDS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2001-12-11 US disclosed
US-5045171-A Acrylic polymers having a critically lower ratio of water content to anion exchange capacity IONICS, INCORPORATED (US) 1991-09-03 US disclosed