SCHEMBL26034440

SCHEMBL26034440

CCCCC(CC)COCCOCCCC(=O)N=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.53
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ TSHR P16473 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA2 P00918 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ RECQL P46063 1/20 0.38
▸ PLA2G2C Q5R387 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PRSS1 P07477 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
SCHEMBL17908801 0.84 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL26034704 0.84 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909449 0.84 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909511 0.84 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909582 0.82 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17908783 0.82 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17908641 0.82 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909574 0.81 CYP3A4 (0.56) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909428 0.81 CYP3A4 (0.74) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17908666 0.81 CYP3A4 (0.74) CYP3A4MMP9MMP8MMP14TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3441382-B1 OXA ACID COMPOUND MORESCO CORP (JP) 2023-08-30 — — EP disclosed
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