SCHEMBL25783158

SCHEMBL25783158

Cn1cc(-c2cccc(Cl)c2)c(C(=O)N2CC[C@H](C(=O)O)C2)c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ REN P00797 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ SPR P35270 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL25783157 0.92 S1PR1 (0.39) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25772307 0.85 CYP4F2 (0.37) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25782854 0.83 S1PR1 (0.40) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25772308 0.82 CYP4F2 (0.37) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25772309 0.81 MEN1 (0.39) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25775002 0.80 CYP4F2 (0.39) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25781205 0.80 CYP4F2 (0.39) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25772493 0.80 CYP4F2 (0.41) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25783159 0.79 S1PR1 (0.39) S1PR1S1PR5CYP4F2CYP4A11NOTUM
SCHEMBL25772032 0.78 OXER1 (0.49) —

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-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
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