SCHEMBL25783069

SCHEMBL25783069

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ BCHE P06276 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL25782854 0.82 S1PR1 (0.40) S1PR1S1PR5NOTUMBCHEMEN1
SCHEMBL25782990 0.76 NR4A2 (0.43) BCHE
SCHEMBL25783158 0.75 S1PR1 (0.40) S1PR1S1PR5NOTUMMEN1KMT2A
SCHEMBL25782852 0.74 TSHR (0.38) KDM4EMEN1KMT2A
SCHEMBL25783157 0.73 S1PR1 (0.39) S1PR1S1PR5NOTUMMEN1KMT2A
SCHEMBL25772307 0.73 CYP4F2 (0.37) S1PR1S1PR5NOTUMMEN1KMT2A
SCHEMBL25783159 0.71 S1PR1 (0.39) S1PR1S1PR5NOTUMBCHEMEN1
SCHEMBL25782959 0.71 KMT2A (0.46) BCHEKDM4EMEN1KMT2ATDP1
SCHEMBL25772437 0.70 S1PR1 (0.38) S1PR1S1PR5NOTUMMEN1KMT2A
SCHEMBL25782743 0.64 THRA (0.53) KMT2A

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
Send feedback