SCHEMBL31215280

SCHEMBL31215280

Cc1ccc(F)cc1COc1c(Cl)cc2[nH]c(C(=O)O)cc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RHEB Q15382 7/20 0.41
▸ IDO1 P14902 5/20 0.39
▸ TDO2 P48775 5/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ EIF4A3 P38919 2/20 0.38
▸ SRD5A2 P31213 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
SCHEMBL31215319 0.86 THRA (0.48) THRATHRBRHEBGRIN1TDP1
SCHEMBL31215308 0.82 THRA (0.46) THRATHRBRHEBIDO1TDO2
SCHEMBL31215309 0.81 SRD5A2 (0.49) THRATHRBRHEBIDO1TDO2
SCHEMBL31215293 0.80 THRA (0.48) THRATHRBRHEBGRIN1SRD5A2
SCHEMBL31215274 0.79 RHEB (0.50) THRATHRBRHEBIDO1TDO2
SCHEMBL31215292 0.78 THRA (0.48) THRATHRBRHEBIDO1TDO2
SCHEMBL31215276 0.78 SRD5A2 (0.58) THRATHRBRHEBIDO1TDO2
SCHEMBL31215305 0.78 RHEB (0.48) THRATHRBRHEBIDO1TDO2
SCHEMBL31215307 0.76 RHEB (0.51) THRATHRBRHEBGRIN1KDM4E
SCHEMBL31215290 0.75 THRA (0.56) THRATHRBRHEBGRIN1KDM4E

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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