SCHEMBL25772135

SCHEMBL25772135

Cn1c(CCCCOCc2ccccc2)c(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(C#N)cnc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.37
▸ CYP4A11 Q02928 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ TEAD3 Q99594 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL25781207 0.93 CYP4F2 (0.37) CYP4F2CYP4A11MCL1GRM5NOTUM
SCHEMBL25772189 0.89 CYP4F2 (0.38) CYP4F2CYP4A11NPC1L3MBTL1S1PR5
SCHEMBL25773868 0.86 CCR5 (0.35) CYP4F2CYP4A11MCL1NOTUMS1PR5
SCHEMBL25772187 0.83 FNTA (0.35) GRM5
SCHEMBL25781205 0.82 CYP4F2 (0.39) CYP4F2CYP4A11MCL1NOTUMS1PR5
SCHEMBL25772194 0.80 RORC (0.38) CYP4F2CYP4A11SMN1; SMN2MCL1S1PR5
SCHEMBL25771371 0.79 OXER1 (0.51) —
SCHEMBL25783329 0.79 OXER1 (0.51) —
SCHEMBL25771372 0.79 OXER1 (0.51) —
SCHEMBL25774793 0.78 OXER1 (0.51) —

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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