SCHEMBL31215282

SCHEMBL31215282

O=C(O)c1cc2c(Cl)c(OCc3cccc(C(F)(F)F)c3F)c(Cl)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 7/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RHEB Q15382 7/20 0.40
▸ SRD5A2 P31213 1/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ FFAR4 Q5NUL3 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
SCHEMBL31215302 0.92 THRA (0.43) MRGPRX4THRATHRBRHEBSRD5A2
SCHEMBL31215308 0.83 THRA (0.46) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215293 0.82 THRA (0.48) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215283 0.80 THRA (0.49) MRGPRX4THRATHRBSRD5A2FFAR4
SCHEMBL31215319 0.79 THRA (0.48) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215284 0.79 RHEB (0.47) MRGPRX4THRATHRBRHEBSRD5A2
SCHEMBL31215309 0.79 SRD5A2 (0.49) MRGPRX4THRATHRBRHEBSRD5A2
SCHEMBL31215276 0.78 SRD5A2 (0.58) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215311 0.77 MRGPRX4 (0.47) MRGPRX4THRATHRBRHEBSRD5A2
SCHEMBL31215280 0.77 THRA (0.46) MRGPRX4THRATHRBRHEBSRD5A2

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
CN-118894802-A Selective THR beta agonist compound and application thereof 山东第一医科大学(山东省医学科学院) 2024-11-05 — — CN disclosed
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