SCHEMBL24895965

SCHEMBL24895965

COC(=O)CCCCCNC(=O)C(Br)=C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.47
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ ADRA1A P35348 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PLA2G2A P14555 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
SCHEMBL16401714 0.81 EPHX2 (0.48) EPHX2TSHRLMNAALDH1A1PLA2G2A
SCHEMBL18724662 0.81 EPHX2 (0.50) EPHX2TSHRLMNAALDH1A1PLA2G2A
SCHEMBL21467817 0.81 EPHX2 (0.50) EPHX2TSHRLMNAALDH1A1PLA2G2A
SCHEMBL12332686 0.79 EPHX2 (0.49) EPHX2TSHRLMNAALDH1A1ADRA1A
SCHEMBL23269433 0.79 EPHX2 (0.49) EPHX2TSHRLMNAALDH1A1ADRA1A
SCHEMBL6581647 0.79 TET2 (0.53) EPHX2TSHRLMNAALDH1A1PLA2G2A
SCHEMBL29004442 0.79 TSHR (0.52) EPHX2TSHRLMNAALDH1A1ADRA1A
SCHEMBL29004439 0.79 TSHR (0.52) EPHX2TSHRLMNAALDH1A1ADRA1A
SCHEMBL130413 0.78 KDM4E (0.67) EPHX2TSHRLMNAALDH1A1ADRA1A
SCHEMBL12332685 0.77 TSHR (0.50) EPHX2TSHRLMNAALDH1A1ADRA1A

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
WO-2023284968-A1 CAGING-GROUP-FREE PHOTOACTIVATABLE FLUORESCENT DYES AND THEIR USE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2023-01-19 — — WO disclosed
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