SCHEMBL20313356

SCHEMBL20313356

CCCCCCCCCCCCCCCCCCNCc1ccc(C)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.51
▸ CA2 P00918 4/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CHRM2 P08172 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL20313355 0.94 CA12 (0.47) CA12CA2CA9TSHRMEN1
SCHEMBL11119500 0.88 CA12 (0.51) CA12CA2CA9TSHRALOX5
SCHEMBL16224920 0.84 SMN1; SMN2 (0.51) MEN1KMT2ACHRM2HRH4HRH3
SCHEMBL22332643 0.84 SMN1; SMN2 (0.51) MEN1KMT2ACHRM2HRH4HRH3
SCHEMBL20313358 0.82 CA12 (0.44) CA12CA2CA9TSHRMAPT
SCHEMBL30746857 0.82 S1PR1 (0.52) CA12CA2CA9TSHRMEN1
SCHEMBL29173822 0.82 S1PR1 (0.52) CA12CA2CA9TSHRMEN1
SCHEMBL29173835 0.82 S1PR1 (0.52) CA12CA2CA9TSHRMEN1
SCHEMBL29173826 0.82 S1PR1 (0.52) CA12CA2CA9TSHRMEN1
SCHEMBL14823445 0.79 CA12 (0.42) CA12CA2CA9TSHRMAPT

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
US-20180179431-A1 Friction-Reducing Compositions for Use in Drilling Operations EXXONMOBIL CHEMICAL PATENTS INC. 2018-06-28 — — US disclosed
US-20180179432-A1 Friction-Reducing Compositions for Use in Drilling Operations EXXONMOBIL CHEMICAL PATENTS INC. 2018-06-28 — — US disclosed
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