SCHEMBL21752124

SCHEMBL21752124

CCC(CC)c1cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 20/20 0.65
THRB P10828 20/20 0.65
CYP2C9 P11712 1/20 0.38
UGT1A1 P22309 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SLCO1B1 Q9Y6L6 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
SCHEMBL21749533 0.83 THRA (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2924750 0.83 THRB (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL21749443 0.83 THRA (0.71) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL21749392 0.83 THRA (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL28913435 0.80 THRA (0.64) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2926953 0.80 THRA (0.74) THRATHRB
SCHEMBL21749552 0.80 THRA (0.65) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2923954 0.79 THRA (1.00) THRATHRB
SCHEMBL21749476 0.77 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL21749420 0.77 THRA (0.64) THRATHRBCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840755-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2021-06-30 EP disclosed
WO-2020041741-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2020-02-27 WO disclosed