SCHEMBL30574229

SCHEMBL30574229

O=C(O)COc1cc(Cl)c(Cc2ccc(O)c(-c3cccnc3)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.59
THRB P10828 14/20 0.59
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PTPN1 P18031 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL25399834 1.00 THRA (0.59) THRATHRBCA12CA1CA2
SCHEMBL31350403 0.91 THRA (0.49) THRATHRBPLA2G10PLA2G2ACYP11B1
SCHEMBL25401057 0.89 THRB (0.61) THRATHRBPLA2G10PLA2G2A
SCHEMBL30574232 0.89 THRA (0.66) THRATHRBPLA2G10PLA2G2APTPN1
SCHEMBL23003630 0.89 THRA (0.66) THRATHRBPLA2G10PLA2G2APTPN1
SCHEMBL31350412 0.89 THRA (0.48) THRATHRBCYP11B1CYP11B2
SCHEMBL25397334 0.88 THRB (0.62) THRATHRBPLA2G10PLA2G2A
SCHEMBL25401460 0.86 THRB (0.58) THRATHRB
SCHEMBL25398618 0.86 THRB (0.60) THRATHRBPLA2G10PLA2G2A
SCHEMBL25397376 0.85 THRB (0.57) THRATHRB

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
WO-2023177667-A1 THYROID HORMONE RECEPTOR AGONISTS BRII BIOSCIENCES, INC. (US) 2023-09-21 WO disclosed