SCHEMBL4073176

SCHEMBL4073176

CCCCC(CC)COCCCN.c1ccc(B(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.68
ALDH1A1 P00352 7/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 3/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
TLR2 O60603 5/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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 0.83 CYP3A4 (1.00) CYP3A4ALDH1A1CA2MMP9MMP8
Hydrochloric Acid SCHEMBL8650580 0.81 CYP3A4 (0.96) CYP3A4ALDH1A1CA2MMP9MMP8
SCHEMBL4239357 0.81 CYP3A4 (0.96) CYP3A4ALDH1A1CA2MMP9MMP8
SCHEMBL27795026 0.81 CYP3A4 (0.96) CYP3A4ALDH1A1CA2MMP9MMP8
SCHEMBL3242499 0.78 CYP3A4 (0.89) CYP3A4ALDH1A1MMP9MMP8MMP14
Acetic Acid SCHEMBL11238793 0.77 CYP3A4 (0.81) CYP3A4ALDH1A1CA2MMP9MMP8
SCHEMBL6269641 0.77 CYP3A4 (0.87) CYP3A4ALDH1A1CA2MMP9MMP8
SCHEMBL3518676 0.77 CYP3A4 (0.86) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL15732821 0.77 CYP3A4 (0.86) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL9766721 0.77 CYP3A4 (0.86) CYP3A4ALDH1A1MMP9MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023120360-A1 FISHING NET ANTIFOULING COATING COMPOSITION AND FISHING NET, FISHING NET GEAR, OR UNDERWATER STRUCTURE HAVING ON SURFACE THEREOF ANTIFOULING COATING FILM FORMED USING SAID COMPOSITION 日東化成株式会社 2023-06-29 WO disclosed
JP-2009203341-A ANTIFOULING PAINT COMPOSITION NITTO KASEI CO LTD 2009-09-10 JP disclosed