SCHEMBL4668739

SCHEMBL4668739

O=C(O)Nc1ccc(NCCO)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
CXCR2 P25025 3/20 0.41
MT-CO2 P00403 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 4/20 0.36
ABCB11 O95342 1/20 0.36
GAA P10253 3/20 0.36
CXCR1 P25024 2/20 0.35
PIK3CA P42336 1/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL4670213 0.86 PEPD (0.41) ABL1CXCR2MT-CO2KMT2AALDH1A1
SCHEMBL4669109 0.84 KDM4E (0.46) ABL1CXCR2MCL1KMT2AALDH1A1
SCHEMBL7250966 0.83 HPGD (0.45) ABL1CXCR2MT-CO2ALDH1A1NPC1
SCHEMBL4669247 0.83 GAA (0.42) ABL1CXCR2MT-CO2KMT2AALDH1A1
SCHEMBL7251799 0.83 CYP1A2 (0.52) KMT2AALDH1A1NPC1RAB9APOLB
SCHEMBL4669065 0.82 HTT (0.47) ABL1NPC1RAB9APOLBMAPT
SCHEMBL4670047 0.81 TDP1 (0.39) ABL1MT-CO2KMT2AALDH1A1TDP1
SCHEMBL7255506 0.81 KCNQ3 (0.39) ABL1CXCR2MT-CO2KMT2AALDH1A1
SCHEMBL4668116 0.81 GAA (0.40) ABL1CXCR2MT-CO2KMT2AALDH1A1
SCHEMBL4668854 0.80 ABCC1 (0.42) ABL1ALDH1A1NPC1RAB9APOLB

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
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed