SCHEMBL4592723

SCHEMBL4592723

Cc1ccc(N(C)CC(O)CO)c(N)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 6/20 0.33
CYP3A4 P08684 4/20 0.33
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 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
SCHEMBL8797956 0.75 ADRB2 (0.32) ALDH1A1
SCHEMBL6665102 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4KDM4ERECQLLMNA
SCHEMBL27737641 0.71 MAPT (0.43) ALDH1A1TDP1TSHRCYP3A4KDM4E
SCHEMBL14269307 0.68 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL30842645 0.68 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL8501106 0.66 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL2056619 0.65 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL11599278 0.64 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL19783167 0.63 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL28090039 0.63 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919440-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER The Procter and Gamble Company (US) 2008-05-14 EP disclosed
WO-2007026328-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
US-6231622-B1 MIXTURES; BLUE COLOR WELLA AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed