Cyclopropane

Cyclopropane

SCHEMBL11144471

C1CC1.C=CC(=O)N[N+](C)(C)C

nearest known ligand 0.44

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 3/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
Hydrochloric Acid SCHEMBL3289299 0.90 TSHR (0.42) TSHRALDH1A1MAPK1TDP1TGM2
Propene SCHEMBL27725465 0.86 TSHR (0.39) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL3652807 0.77 TSHR (0.44) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27725463 0.76 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5054226 0.73
Hydrochloric Acid SCHEMBL2918034 0.68 TSHR (0.39) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL176022 0.67 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8976914 0.67 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
Cyclopropane SCHEMBL21806779 0.67 TSHR (0.44) TSHRALDH1A1MAPK1TDP1TGM2
Cyclopropane SCHEMBL10359668 0.67 ALDH1A1 (0.35) ALDH1A1TDP1PHF8KDM2A

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
US-4393939-A Clay stabilization during oil and gas well cementing operations HALLIBURTON SERVICES (US) 1983-07-19 US claimed