SCHEMBL10949107

SCHEMBL10949107

Cc1ccc(C2=C(OC(=O)C(C)(C)C)CC(C)(C)CC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ ELANE P08246 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL10947384 0.88 ELANE (0.38) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL10947368 0.86 MEN1 (0.35) KMT2AMAPTALDH1A1THRBMEN1
SCHEMBL10948061 0.85 KMT2A (0.45) KMT2AMAPTALDH1A1HPGDTHRB
SCHEMBL10948993 0.82 CNR2 (0.34) KMT2AMAPTALDH1A1HPGDELANE
SCHEMBL10951017 0.79 ALDH1A1 (0.37) KMT2AMAPTALDH1A1HPGDTHRB
SCHEMBL10947331 0.77 KMT2A (0.38) KMT2AMAPTALDH1A1HPGDTHRB
SCHEMBL10945217 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL10948746 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL10946309 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL10948249 0.76 HSD17B1 (0.33) —

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
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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