SCHEMBL30883176

SCHEMBL30883176

CCCC/C=C\c1cccc(C(=O)O)c1N.CCCCC/C=C\CC/C=C/C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
BID P55957 3/20 0.39
BCL2L1 Q07817 3/20 0.39
MCL1 Q07820 3/20 0.39
BAK1 Q16611 3/20 0.39
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
MMP2 P08253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ECE1 P42892 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
MUS81 Q96NY9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7950466 0.88 PDE5A (0.45) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL7950461 0.88 PDE5A (0.45) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL10496500 0.76 CYSLTR2 (0.53) CYSLTR2CYSLTR1F7F3MMP2
SCHEMBL10496494 0.76 CYSLTR2 (0.53) CYSLTR2CYSLTR1F7F3MMP2
2-Nonenal SCHEMBL29169468 0.75 SOAT2 (0.42) CYSLTR2CYSLTR1F7F3MMP2
SCHEMBL9504870 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1F7F3MMP2
SCHEMBL22439053 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1F7F3MMP2
SCHEMBL22439056 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1F7F3MMP2
SCHEMBL14672873 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1F7F3MMP2
SCHEMBL9504864 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1F7F3MMP2

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
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed