SCHEMBL25772194

SCHEMBL25772194

Cn1c(CCCCOCc2cccc(Cl)c2)c(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(C(F)(F)F)cnc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.38
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ S1PR1 P21453 4/20 0.35
▸ S1PR5 Q9H228 4/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ MRGPRX4 Q96LA9 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 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
SCHEMBL25781205 0.90 CYP4F2 (0.39) CYP4F2CYP4A11S1PR1S1PR5LMNA
SCHEMBL25772253 0.88 RORC (0.40) RORCS1PR1S1PR5PDGFRAMRGPRX4
SCHEMBL25781207 0.88 CYP4F2 (0.37) RORCCYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25781328 0.86 MRGPRX4 (0.33) MRGPRX4SMN1; SMN2LMNAGAAMAPT
SCHEMBL25772189 0.84 CYP4F2 (0.38) CYP4F2CYP4A11S1PR1S1PR5LMNA
SCHEMBL25771786 0.83 OXER1 (0.38) CYP4F2CYP4A11S1PR1S1PR5MCL1
SCHEMBL25775002 0.82 CYP4F2 (0.39) CYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25781203 0.82 MCL1 (0.39) CYP4F2CYP4A11S1PR1S1PR5MCL1
SCHEMBL25777386 0.80 OXER1 (0.51) MRGPRX4
SCHEMBL25772135 0.80 CYP4F2 (0.37) CYP4F2CYP4A11S1PR5SMN1; SMN2MCL1

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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