SCHEMBL22875950

SCHEMBL22875950

COOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
SLC2A1 P11166 1/20 0.36
TNF P01375 1/20 0.35
ALDH1A1 P00352 1/20 0.31
ACP3 P15309 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL31303193 0.86 SLC2A1 (0.50) NR3C1PGRNR3C2ARSLC2A1
SCHEMBL14322127 0.81 SLC6A2 (0.32) TNF
SCHEMBL17904264 0.78 NQO1 (0.47) TNFALDH1A1
SCHEMBL270836 0.77 SLC6A2 (0.44)
SCHEMBL23135870 0.76 SLC2A1 (0.33) SLC2A1TNF
SCHEMBL10146241 0.76 GAA (0.39)
SCHEMBL8986298 0.75 TSHR (0.35) ALDH1A1HSD17B10
SCHEMBL13530943 0.75 AOC3 (0.42) ALDH1A1
SCHEMBL14528753 0.74 GAA (0.39)
SCHEMBL5865581 0.73 KMT2A (0.47)

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-3612538-B1 QUINONE-METHIDE PRECURSORS WITH BODIPY CHROMOPHORE, METHOD OF PREPARATION, BIOLOGICAL ACTIVITY AND APPLICATION IN FLUORESCENT LABELLING RUDJER BOSKOVIC INST (HR) 2021-01-13 EP disclosed