SCHEMBL28038247

SCHEMBL28038247

CCCCC(CC)COC(=O)O.CCCCCCOOCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ATM Q13315 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CA2 P00918 2/20 0.52
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL28199953 0.98 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL94798 0.88 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMPRSS1
Ammonia Solution, Strong SCHEMBL27745823 0.87 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL3411613 0.87 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMPRSS1
Water SCHEMBL27469151 0.87 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMPRSS1
Water SCHEMBL28077519 0.87 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL20381899 0.83 TSHR (0.51) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL14716299 0.82 TSHR (0.50) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL10457891 0.81 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL6551468 0.81 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965560-B Foamable styrene system resin particles and its manufacture method and expanded beads formed body 株式会社JSP 2017-08-25 CN disclosed
CN-102443215-B The manufacture method of composite resin expanded beads and manufacture method and the composite resin particle that can foam 株式会社JSP 2016-06-15 CN disclosed
CN-102558696-B The manufacture method of resin particle, expandable resin particle, resin expanded particle and resin expanded particle moulded product JSP CORP. (JP) 2015-09-30 CN disclosed