SCHEMBL3518676

SCHEMBL3518676

CCCCC(CC)COCCCCCCCCN

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.86
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TLR2 O60603 3/20 0.43
DNM1 Q05193 5/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.41
PLA2G2C Q5R387 1/20 0.41

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
SCHEMBL15511144 1.00 CYP3A4 (0.86) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9766721 1.00 CYP3A4 (0.86) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL3242499 0.98 CYP3A4 (0.89) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL179734 0.93 CYP3A4 (1.00) CYP3A4MMP9MMP8MMP14ALDH1A1
Hydrochloric Acid SCHEMBL8650580 0.91 CYP3A4 (0.96) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL4239357 0.91 CYP3A4 (0.96) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL27795026 0.91 CYP3A4 (0.96) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5474996 0.91 CYP3A4 (0.75) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5469337 0.91 CYP3A4 (0.75) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5481187 0.91 CYP3A4 (0.75) CYP3A4MMP9MMP8MMP14ALDH1A1

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
EP-2161318-A1 TRIPHENYLBORON COMPOUND-CONTAINING ANTIFOULING COATING COMPOSITION HAVING IMPROVED STABILITY, ANTIFOULING AGENT SET USED THEREFOR, AND METHOD FOR SUPPRESSING/CONTROLLING DECOMPOSITION OF TRIPHENYLBORON COMPOUND CHUGOKU MARINE PAINTS, LTD. (JP) 2010-03-10 EP claimed
WO-2022181298-A1 WATER-BASED ANTIFOULING PAINT COMPOSITION, ANTIFOULING COATING FORMED USING SAME, AND FISHING NET, SHIP, AND UNDERWATER STRUCTURE HAVING COATING ON SURFACE バッセル化学株式会社 2022-09-01 WO disclosed
EP-2161318-A1 TRIPHENYLBORON COMPOUND-CONTAINING ANTIFOULING COATING COMPOSITION HAVING IMPROVED STABILITY, ANTIFOULING AGENT SET USED THEREFOR, AND METHOD FOR SUPPRESSING/CONTROLLING DECOMPOSITION OF TRIPHENYLBORON COMPOUND CHUGOKU MARINE PAINTS, LTD. (JP) 2010-03-10 EP disclosed