SCHEMBL11229430

SCHEMBL11229430

COc1cc(C(=O)N(C)C(=O)Cl)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL7376402 0.82 TUBB4A (0.51) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL1436447 0.80 TUBB4A (0.50) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL709048 0.79 ABCG2 (0.50) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL28275397 0.77 TUBB4A (0.55) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL219096 0.77 TUBB4A (0.55) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL11464818 0.77 TOP1 (0.49) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL11685922 0.76 TAS1R3 (0.49) ALDH1A1KMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL9750696 0.74 SCN1A (0.48) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL6160353 0.74 TUBB1 (0.54) ALDH1A1KMT2AMEN1TUBB4ATUBB
SCHEMBL7343961 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1KDM4ETUBB4A

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-4312982-A BACTERICIDES BEECHAM GROUP LIMITED (GB) 1982-01-26 US disclosed