SCHEMBL31215283

SCHEMBL31215283

O=C(O)c1cc2c(Cl)c(OCc3cccc(C(F)(F)F)c3)c(Cl)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.49
▸ THRB P10828 2/20 0.49
▸ NR4A2 P43354 2/20 0.49
▸ MRGPRX4 Q96LA9 7/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ S1PR1 P21453 3/20 0.45
▸ S1PR5 Q9H228 3/20 0.45
▸ PDGFRA P16234 2/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ MAOB P27338 3/20 0.43

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
SCHEMBL31215311 0.89 MRGPRX4 (0.47) THRATHRBMRGPRX4SRD5A2S1PR1
SCHEMBL31215284 0.89 RHEB (0.47) THRATHRBMRGPRX4SRD5A2
SCHEMBL31215309 0.86 SRD5A2 (0.49) THRATHRBNR4A2MRGPRX4SRD5A2
SCHEMBL31215276 0.86 SRD5A2 (0.58) THRATHRBSRD5A2PDGFRA
SCHEMBL31215302 0.82 THRA (0.43) THRATHRBMRGPRX4SRD5A2FFAR4
SCHEMBL31215305 0.81 RHEB (0.48) THRATHRBMRGPRX4SRD5A2MAOB
SCHEMBL31215282 0.80 MRGPRX4 (0.42) THRATHRBMRGPRX4SRD5A2FFAR4
SCHEMBL31215307 0.79 RHEB (0.51) THRATHRBSRD5A2
SCHEMBL31215274 0.78 RHEB (0.50) THRATHRBMRGPRX4SRD5A2
SCHEMBL31215292 0.77 THRA (0.48) THRATHRBMRGPRX4SRD5A2

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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