SCHEMBL4239357

SCHEMBL4239357

CCCCC(CC)COCCCN.[B]

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.96
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CA2 P00918 2/20 0.37
RECQL P46063 1/20 0.36
TLR2 O60603 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL179734 0.98 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1MMP9MMP8
Hydrochloric Acid SCHEMBL8650580 0.96 CYP3A4 (0.96) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL27795026 0.96 CYP3A4 (0.96) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL3242499 0.93 CYP3A4 (0.89) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL6269641 0.91 CYP3A4 (0.87) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL15732821 0.91 CYP3A4 (0.86) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL28840278 0.91 CYP3A4 (0.86) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL9766721 0.91 CYP3A4 (0.86) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL3518676 0.91 CYP3A4 (0.86) CYP3A4ALDH1A1TDP1MMP9MMP8
SCHEMBL15511144 0.91 CYP3A4 (0.86) CYP3A4ALDH1A1TDP1MMP9MMP8

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-3693421-B1 ANTIFOULING PAINT COMPOSITION AND COATED ARTICLE HAVING ANTIFOULING COATING FORMED USING SAID COMPOSITION ON SURFACE NITTO KASEI CO LTD (JP) 2023-12-20 EP disclosed
EP-3998315-A1 ANTIFOULING COATING COMPOSITION AND COATED ARTICLE HAVING AT SURFACE THEREOF ANTIFOULING COATING FILM FORMED USING SAID COMPOSITION Nitto Kasei Co., Ltd. (JP) 2022-05-18 EP disclosed
JP-2009235373-A CLEAR TYPE ANTIFOULING PAINT COMPOSITION CONTAINING STABILITY IMPROVED TRIPHENYLBORON COMPOUND, FOR FISHING NET CHUGOKU MARINE PAINTS LTD 2009-10-15 JP disclosed