SCHEMBL25601968

SCHEMBL25601968

COc1ccc(C(OCC[N+](C)(C)C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 5/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC6A1 P30531 2/20 0.39

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
SCHEMBL2491594 0.79 SLC6A11 (0.45) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL2490800 0.79 KIF11 (0.60) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL25601932 0.79 KIF11 (0.59)
SCHEMBL14879264 0.76 KIF11 (0.52) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL2493851 0.76 KIF11 (0.53) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL18803715 0.76 KIF11 (0.52) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL2494966 0.76 SLC6A11 (0.43) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL11474407 0.76 CA1 (0.48) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL9215766 0.74 KIF11 (0.49) SLC6A11MEN1TP53CYP1A2CYP3A4
SCHEMBL6522519 0.74 KIF11 (0.49) SLC6A11MEN1TP53CYP1A2CYP3A4

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-2023107161-A1 BREAKABLE EMULSIFIERS HALLIBURTON ENERGY SERVICES, INC. (US) 2023-06-15 WO disclosed
US-20230174841-A1 Breakable Emulsifiers HALLIBURTON ENERGY SERVICES, INC. (US) 2023-06-08 US disclosed