SCHEMBL22864639

SCHEMBL22864639

COC(=O)c1c[nH]c2ccc(C)c(OC)c12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 11/20 0.55
▸ CREBBP Q92793 1/20 0.49
▸ MAP2K1 Q02750 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 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
SCHEMBL17417754 0.86 HSD17B10 (0.43) NR4A2KDM4E
SCHEMBL25425896 0.82 NR4A2 (0.40) NR4A2CREBBP
SCHEMBL25748082 0.80 NR4A2 (0.36) NR4A2CREBBP
SCHEMBL9937305 0.78 NR4A2 (0.70) NR4A2CREBBPMAP2K1
SCHEMBL18974967 0.77 NR4A2 (0.35) NR4A2
SCHEMBL25438497 0.77 ALDH1A1 (0.39) NR4A2
SCHEMBL25423189 0.77 NR4A2 (0.34) NR4A2
SCHEMBL17417650 0.76 — —
SCHEMBL25423229 0.76 NR4A2 (0.33) NR4A2
SCHEMBL25436274 0.76 ALDH1A1 (0.38) NR4A2

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-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 — — WO disclosed
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