SCHEMBL31215311

SCHEMBL31215311

O=C(O)c1cc2c(Cl)c(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(Cl)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 8/20 0.47
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ GRIN1 Q05586 1/20 0.41
▸ RHEB Q15382 5/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ EIF4A3 P38919 1/20 0.38

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
SCHEMBL31215284 0.90 RHEB (0.47) MRGPRX4THRATHRBGRIN1RHEB
SCHEMBL31215283 0.89 THRA (0.49) MRGPRX4THRATHRBSRD5A2S1PR1
SCHEMBL31215292 0.83 THRA (0.48) MRGPRX4THRATHRBGRIN1RHEB
SCHEMBL31215276 0.82 SRD5A2 (0.58) THRATHRBGRIN1RHEBSRD5A2
SCHEMBL31215307 0.81 RHEB (0.51) THRATHRBGRIN1RHEBSRD5A2
SCHEMBL31215305 0.80 RHEB (0.48) MRGPRX4THRATHRBGRIN1RHEB
SCHEMBL31215274 0.80 RHEB (0.50) MRGPRX4THRATHRBGRIN1RHEB
SCHEMBL31215288 0.79 THRA (0.48) MRGPRX4THRATHRBGRIN1RHEB
SCHEMBL31215309 0.79 SRD5A2 (0.49) MRGPRX4THRATHRBGRIN1RHEB
SCHEMBL31215302 0.79 THRA (0.43) MRGPRX4THRATHRBGRIN1RHEB

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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