SCHEMBL6855890

SCHEMBL6855890

COc1cc(OC)c(O)cc1N.Cc1ccc(NCCCO)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
ALDH1A1 P00352 4/20 0.47
FYN P06241 1/20 0.39
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL5822705 0.86 TUBB1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL456096 0.82 ALDH1A1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30202433 0.82 ALDH1A1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL8665041 0.78 ALDH1A1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6089173 0.75 ALDH1A1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5715031 0.74 ALDH1A1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29428385 0.73 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL95129 0.73 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6228833 0.72 ALDH1A1 (0.71) ALDH1A1HTTTDP1
SCHEMBL6227906 0.72 ALDH1A1 (0.71) ALDH1A1HTTTDP1

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-6783559-B2 AT LEAST ONE FIRST OXIDATION BASE, AT LEAST ONE SECOND OXIDATION BASE CHOSEN FROM PARA-AMINOPHENOLS, AT LEAST ONE META-AMINOPHENOL AS COUPLER AND AT LEAST ONE ENZYME OF 2-ELECTRON OXIDOREDUCTASE TYPE IN THE PRESENCE OF AT LEAST ONE L'OREAL S.A. (FR) 2004-08-31 US claimed