SCHEMBL25782854

SCHEMBL25782854

Cn1ccc(C(=O)N2CC[C@H](C(=O)O)C2)c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ CCR5 P51681 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36

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
SCHEMBL25782852 0.92 TSHR (0.38) KMT2ACCR5MEN1LMNAGAA
SCHEMBL25783159 0.84 S1PR1 (0.39) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25783158 0.83 S1PR1 (0.40) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25783025 0.83 KMT2A (0.35) BCHEKMT2AMEN1LMNAGAA
SCHEMBL25782990 0.82 NR4A2 (0.43) BCHE
SCHEMBL25783157 0.82 S1PR1 (0.39) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25783069 0.82 S1PR1 (0.39) S1PR1S1PR5NOTUMBCHEKMT2A
SCHEMBL25772307 0.81 CYP4F2 (0.37) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25772437 0.80 S1PR1 (0.38) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25782959 0.77 KMT2A (0.46) BCHEKMT2AMEN1LMNAMAPT

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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