SCHEMBL25782990

SCHEMBL25782990

Cn1ccc(C(=O)O)c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ MAOB P27338 4/20 0.38
▸ MAOA P21397 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL25782959 0.88 KMT2A (0.46) BCHEMAOB
SCHEMBL25782854 0.82 S1PR1 (0.40) BCHE
SCHEMBL25782852 0.79 TSHR (0.38) THRB
SCHEMBL25783069 0.76 S1PR1 (0.39) BCHE
SCHEMBL25782743 0.73 THRA (0.53) NR4A2RXRARXRBRXRGMRGPRX4
SCHEMBL20379000 0.72 MAOB (0.50) NR4A2RXRARXRBRXRGMRGPRX4
SCHEMBL7906935 0.72 FFAR1 (0.44) NR4A2RXRARXRBRXRGMRGPRX4
SCHEMBL11705502 0.69 CYP3A4 (0.50) NR4A2RXRARXRBRXRGMRGPRX4
SCHEMBL19555352 0.69 THRA (0.57) NR4A2RXRARXRBRXRGMRGPRX4
SCHEMBL30025737 0.69 THRA (0.57) NR4A2RXRARXRBRXRGMRGPRX4

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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