SCHEMBL6693445

SCHEMBL6693445

Cc1ccccc1OC(N)C(N)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
CYP1A2 P05177 4/20 0.46
KDM4E B2RXH2 1/20 0.46
SCN4A P35499 2/20 0.44
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A2 P23975 3/20 0.40
LMNA P02545 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2B P18089 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
HRH1 P35367 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2B P41595 2/20 0.40

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
SCHEMBL4071169 0.88 ALOX15 (0.44) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL27684350 0.80 SCN4A (0.48) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL515976 0.78 CYP1A2 (0.48) ALOX15CYP1A2KDM4ETSHRCYP3A4
SCHEMBL6495128 0.78 SCN4A (0.47) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL11242898 0.78 ALOX15 (0.43) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL31390272 0.75 CYP1A2 (0.46) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL16991809 0.75 CYP1A2 (0.46) ALOX15CYP1A2KDM4ETSHRCYP3A4
SCHEMBL4248685 0.75 CYP1A2 (0.46) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL28911420 0.75 TSHR (0.46) ALOX15CYP1A2KDM4ESCN4ATSHR
SCHEMBL10552288 0.73 SCN4A (0.47) ALOX15CYP1A2KDM4ESCN4ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112736-A1 METHOD AND COMPOSITIONS FOR COLORING HAIR WITH TAURATE COPOLYMERS UNILEVER PLC (GB) 2004-12-29 WO disclosed
WO-2002067882-A1 HAIR COLORANT IN THE FORM OF A CREAMY PERMANENT MOUSSE OR A STABLE FOAMED CREME COLORANT WELLA AKTIENGESELLSCHAFT (DE) 2002-09-06 WO disclosed