SCHEMBL23628384

SCHEMBL23628384

CCc1cc(O)cc(O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.44
PTPN11 Q06124 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
PTGS1 P23219 1/20 0.43
DRD3 P35462 1/20 0.43
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
POLB P06746 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HPGD P15428 1/20 0.38
TRPA1 O75762 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PTPN2 P17706 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
SCHEMBL204196 0.88 GABRA1 (0.50) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL23628389 0.83 PTPN1 (0.55) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL28485932 0.79 PTPN1 (0.59) PTPN1MEN1KMT2AALOX15ALOX12
SCHEMBL29684086 0.78 ALOX5 (0.56) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL8764460 0.78 ALOX5 (0.56) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL23628391 0.75 PTPN1 (0.47) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL1179174 0.74 PTPN1 (0.46) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL68391 0.74 PTPN1 (0.46) PTPN1PTPN11MEN1KMT2ACYP3A4
SCHEMBL4320876 0.74 BACE1 (0.47) PTPN1MEN1KMT2ACYP3A4PTGS1
SCHEMBL28505038 0.73 PTPN1 (0.44) PTPN1PTPN11MEN1KMT2ACYP3A4

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-3847148-A2 CANNABIDIOL COMPOSITIONS HAVING MODIFIED CANNABINOID PROFILES Purisys LLC (US) 2021-07-14 EP disclosed