SCHEMBL31054366

SCHEMBL31054366

Cc1cc(OCOP(=O)(O)O)cc(C)c1Oc1cc(C(C)C)c(=O)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 19/20 0.59
▸ THRB P10828 19/20 0.59
▸ CYP2C9 P11712 1/20 0.41
▸ UGT1A1 P22309 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL28486074 0.88 THRA (0.60) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL31054370 0.88 THRA (0.54) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22660335 0.81 THRA (0.48) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL31054376 0.81 THRB (0.46) THRATHRB
SCHEMBL31054391 0.76 THRA (0.55) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22668214 0.75 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2927006 0.74 THRB (1.00) THRATHRB
SCHEMBL14628110 0.74 THRA (0.83) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL31054372 0.74 THRB (0.58) THRATHRB
SCHEMBL28486073 0.71 THRA (0.56) THRATHRBCYP2C9UGT1A1ABCG2

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-118290483-A Pyridazinone compound and application thereof 烟台药物研究所 2024-07-05 — — CN disclosed
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