SCHEMBL2848204

SCHEMBL2848204

CCCCC(CC)COC(=O)C1C=CCCC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 6/20 0.43
CA2 P00918 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL226453 0.93 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
Bis(2-Ethylhexyl) Phthalate SCHEMBL29159549 0.84 ALDH1A1 (0.64) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL6322622 0.82 MAPK1 (0.40) TSHRTDP1ATMALDH1A1LMNA
SCHEMBL11241837 0.81 MAPK1 (0.33) TDP1ALDH1A1MAPK1
SCHEMBL6426882 0.80 PPARG (0.43)
SCHEMBL5525243 0.80 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
Butane SCHEMBL11241850 0.80 PPARG (0.40) CYP3A4TSHRMAPK1
SCHEMBL6317561 0.79 RAB9A (0.38) TSHRTDP1ALDH1A1
SCHEMBL1297831 0.79 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1297829 0.79 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7765649-B2 Chuck and chuck-equipped bag IDEMITSU UNITECH CO., LTD. (JP) 2010-08-03 US disclosed
US-20070266532-A1 Chuck and Chuck-Equipped Bag IDEMITSU UNITECH CO., LTD. (JP) 2007-11-22 US disclosed
EP-0809679-B1 ARTICLES INCORPORATING PRESSURE-SENSITIVE ADHESIVES HAVING IMPROVED ADHESION TO PLASTICIZED POLYVINYL CHLORIDE MINNESOTA MINING & MFG (US) 2000-05-17 EP disclosed
US-5861211-A CROSSLINKED ACRYLATE COPOLYMER; RETROREFLECTIVE SHEETS; TARPAULINS; BONDING STRENGTH MINNESOTA MINING & MANUFACTURING COMPANY (US) 1999-01-19 US disclosed
EP-0809679-A2 ARTICLES INCORPORATING PRESSURE-SENSITIVE ADHESIVES HAVING IMPROVED ADHESION TO PLASTICIZED POLYVINYL CHLORIDE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-03 EP disclosed
WO-1996026221-A2 PRESSURE SENSITIVE ADHESIVE ARTICLE, RETROREFLECTIVE SHEETING THEREWITH AND METHOD OF BONDING PVC THEREWITH MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-29 WO disclosed