SCHEMBL24914219

SCHEMBL24914219

O=C(c1c(O)cc(O)cc1OCc1ccccc1)N1CCc2cccc(NC3COC3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.38
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SPR P35270 1/20 0.36
FFAR1 O14842 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR183 P32249 1/20 0.35
CXCR3 P49682 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL30155614 1.00 PTGDR2 (0.38) PTGDR2TMEM97SIGMAR1L3MBTL1SPR
SCHEMBL30155726 0.94 BRD4 (0.37) PTGDR2TMEM97SIGMAR1L3MBTL1ALDH1A1
SCHEMBL30155585 0.94 BRD4 (0.37) PTGDR2TMEM97SIGMAR1L3MBTL1ALDH1A1
SCHEMBL24913990 0.94 BRD4 (0.37) PTGDR2TMEM97SIGMAR1L3MBTL1ALDH1A1
SCHEMBL30156729 0.94 BRD4 (0.37) PTGDR2TMEM97SIGMAR1L3MBTL1ALDH1A1
SCHEMBL24914057 0.94 BRD4 (0.37) PTGDR2TMEM97SIGMAR1L3MBTL1ALDH1A1
SCHEMBL24913821 0.93 BRD4 (0.37) L3MBTL1SPRFFAR1ALDH1A1HSD17B10
SCHEMBL30789166 0.93 BRD4 (0.37) L3MBTL1SPRFFAR1ALDH1A1HSD17B10
SCHEMBL31013809 0.91 PTGDR2 (0.37) PTGDR2TMEM97SIGMAR1L3MBTL1SPR
SCHEMBL24913940 0.91 TMEM97 (0.42) PTGDR2TMEM97SIGMAR1L3MBTL1SPR

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-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed