SCHEMBL31124841

SCHEMBL31124841

OC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
SLC2A1 P11166 1/20 0.46
ALOX15 P16050 2/20 0.45
CYP19A1 P11511 5/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
OGG1 O15527 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL13865450 0.89 ALDH1A1 (0.48) CYP2A6SLC2A1ALOX15CYP19A1ALDH1A1
SCHEMBL4432529 0.89 ALDH1A1 (0.48) CYP2A6SLC2A1ALOX15CYP19A1ALDH1A1
SCHEMBL8870530 0.82 CYP19A1 (0.66) CYP19A1USP2RAB9A
SCHEMBL8582556 0.77 MEN1 (0.56) CYP2A6ALOX15CYP19A1RAB9ACA1
SCHEMBL18911463 0.77 CYP2A6 (0.44) CYP2A6ALOX15CYP19A1RAB9ACA1
SCHEMBL155856 0.77 CYP2A6 (0.44) CYP2A6ALOX15CYP19A1RAB9ACA1
SCHEMBL11051817 0.73 CYP2A6 (0.57) CYP2A6ALOX15CYP19A1CA1CA2
SCHEMBL440244 0.73 CYP2A6 (0.57) CYP2A6ALOX15CYP19A1CA1CA2
SCHEMBL2856947 0.73 ALDH1A1 (0.48) CYP2A6ALOX15TSHRALDH1A1MAPK1
SCHEMBL18911475 0.73 CYP2A6 (0.40) CYP2A6ALOX15CYP19A1RAB9ACA1

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
CN-118852059-A Synthesis method of novel aromatic multifunctional epoxy resin 复旦大学 2024-10-29 CN claimed
CN-118852059-A Synthesis method of novel aromatic multifunctional epoxy resin 复旦大学 2024-10-29 CN disclosed
CN-118852059-A Synthesis method of novel aromatic multifunctional epoxy resin 复旦大学 2024-10-29 CN disclosed