SCHEMBL10947368

SCHEMBL10947368

Cc1ccc(C2=C(OC(=O)C(C)(C)C)CC(C)(C)CC2=O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MGAT2 Q10469 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10949107 0.86 KMT2A (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10943778 0.86 TSHR (0.39) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL10947059 0.83 ALDH1A1 (0.35) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL10947384 0.82 ELANE (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10948249 0.80 HSD17B1 (0.33) —
SCHEMBL10945418 0.78 KMT2A (0.38) MEN1KMT2AALDH1A1NPSR1ALOX15
SCHEMBL10944849 0.77 GAA (0.41) LMNANPSR1ALOX15L3MBTL1GAA
SCHEMBL10948061 0.71 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10947522 0.70 PGR (0.42) KMT2AMAPT
SCHEMBL10948993 0.70 CNR2 (0.34) KMT2AALDH1A1MAPTNPSR1ELANE

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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