SCHEMBL25783159

SCHEMBL25783159

Cn1c(-c2ccccc2Cl)cc(C(=O)N2CC[C@H](C(=O)O)C2)c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CCR5 P51681 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL25772437 0.85 S1PR1 (0.38) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25783157 0.85 S1PR1 (0.39) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25782854 0.84 S1PR1 (0.40) S1PR1S1PR5RAB9ABCHENOTUM
SCHEMBL25772309 0.83 MEN1 (0.39) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25783158 0.79 S1PR1 (0.40) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25772077 0.79 OXER1 (0.47) —
SCHEMBL25772492 0.78 MGLL (0.37) S1PR1S1PR5CYP4F2CYP4A11LMNA
SCHEMBL25772307 0.77 CYP4F2 (0.37) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25775002 0.77 CYP4F2 (0.39) S1PR1S1PR5NOTUMCYP4F2CYP4A11
SCHEMBL25782852 0.76 TSHR (0.38) TSHRCCR5LMNAMEN1GAA

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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