SCHEMBL31215293

SCHEMBL31215293

O=C(O)c1cc2c(Cl)c(OCc3ccccc3Cl)c(Cl)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ RHEB Q15382 5/20 0.48
▸ NR4A2 P43354 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FABP4 P15090 3/20 0.45
▸ FABP5 Q01469 3/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SLC26A4 O43511 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40

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
SCHEMBL31215308 0.90 THRA (0.46) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215319 0.90 THRA (0.48) THRATHRBRHEBNPC1SRD5A2
SCHEMBL31215276 0.88 SRD5A2 (0.58) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215302 0.84 THRA (0.43) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215282 0.82 MRGPRX4 (0.42) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215307 0.81 RHEB (0.51) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215280 0.80 THRA (0.46) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215274 0.80 RHEB (0.50) THRATHRBRHEBSRD5A2GRIN1
SCHEMBL31215309 0.80 SRD5A2 (0.49) THRATHRBRHEBNR4A2SRD5A2
SCHEMBL31215292 0.79 THRA (0.48) 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
Send feedback