SCHEMBL29951674

SCHEMBL29951674

[C-]#[N+]Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.55
TSHR P16473 1/20 0.50
FFAR1 O14842 1/20 0.47
SRD5A2 P31213 3/20 0.46
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
EPHX2 P34913 1/20 0.44
PLA2G2A P14555 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL29957336 0.82 KDM4E (0.46) LTA4HTSHRFFAR1
SCHEMBL168131 0.79
SCHEMBL12392016 0.79 LMNA (0.58) LTA4HFFAR1MAOAEPHX2
SCHEMBL23098203 0.75 SRD5A2 (0.70) LTA4HTSHRFFAR1SRD5A2NR1H2
SCHEMBL19322270 0.75 LTA4H (0.67) LTA4HTSHRFFAR1SRD5A2NR1H2
SCHEMBL9906839 0.75 SRD5A2 (0.70) LTA4HTSHRFFAR1SRD5A2NR1H2
SCHEMBL1104002 0.74 IDO1 (0.52) LTA4HTSHRCA1CA2
SCHEMBL22129853 0.74 LTA4H (0.92) LTA4HTSHRSRD5A2NR1H2BAX
SCHEMBL122719 0.74 LTA4H (0.92) LTA4HTSHRSRD5A2NR1H2BAX
SCHEMBL3893562 0.74 LTA4H (0.92) LTA4HTSHRSRD5A2NR1H2BAX

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed