SCHEMBL31215319

SCHEMBL31215319

Cc1ccccc1COc1c(Cl)cc2[nH]c(C(=O)O)cc2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ RHEB Q15382 5/20 0.45
▸ SRD5A2 P31213 1/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ SLC26A4 O43511 2/20 0.41
▸ GNRHR P30968 1/20 0.41
▸ EIF4A3 P38919 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL31215293 0.90 THRA (0.48) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215308 0.87 THRA (0.46) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215280 0.86 THRA (0.46) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215276 0.85 SRD5A2 (0.58) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215274 0.82 RHEB (0.50) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215302 0.81 THRA (0.43) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215292 0.81 THRA (0.48) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215282 0.79 MRGPRX4 (0.42) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215307 0.78 RHEB (0.51) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215290 0.78 THRA (0.56) THRATHRBRHEBSRD5A2GRIN1

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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