SCHEMBL20299500

SCHEMBL20299500

CC(C)(C)OC(=O)c1cccc(C=C2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ AR P10275 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49
▸ TUBA3E Q6PEY2 1/20 0.49
▸ TUBA1A Q71U36 1/20 0.49
▸ TUBA1C Q9BQE3 1/20 0.49
▸ TUBB6 Q9BUF5 1/20 0.49
▸ TUBB2B Q9BVA1 1/20 0.49
▸ TUBB1 Q9H4B7 1/20 0.49
▸ KMT2A Q03164 8/20 0.47
▸ MAPT P10636 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47

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
SCHEMBL20320053 0.79 HDAC3 (0.47) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL895414 0.77 UNG (0.56) KMT2AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL29451792 0.76 HSD17B10 (0.41) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL15496946 0.76 SLC7A5 (0.48) MAPTALDH1A1SMN1; SMN2TDP1SLC7A5
SCHEMBL18015981 0.76 PTPRC (0.59) MAPTALDH1A1L3MBTL1SMN1; SMN2SLC7A5
SCHEMBL31487534 0.76 SLC7A5 (0.48) MAPTALDH1A1SMN1; SMN2TDP1SLC7A5
SCHEMBL110296 0.74 SLC7A5 (0.58) ALDH1A1L3MBTL1TDP1SLC7A5
SCHEMBL20299514 0.74 TUBB4A (0.84) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL30390191 0.73 KMT2A (0.50) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
Water SCHEMBL28897664 0.73 SLC7A5 (0.56) ALDH1A1L3MBTL1TDP1SLC7A5

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-2018114965-A1 CLPX INHIBITORY COMPOUNDS FOR THE TREATMENT OF MULTI RESISTANT STAPHYLOCOCCUS AUREUS VIRULENCE AND FOR THE TREATMENT OF LEUKEMIA Technische Universität München (DE) 2018-06-28 — — WO disclosed
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