SCHEMBL7069922

SCHEMBL7069922

C=C(C)C(=O)ON1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CHKA P35790 1/20 0.32
TSHR P16473 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL28786962 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4447517 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL673250 0.85
SCHEMBL5874622 0.83 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL8958704 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL31411897 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL21723742 0.79 SIGMAR1 (0.33) CA2CA12CA1CA9CHRNB2
SCHEMBL1411118 0.79 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL30598789 0.79 CA2 (0.38) ALDH1A1CA2CA12CA1CA9
SCHEMBL1083049 0.79 CA2 (0.38) ALDH1A1CA2CA12CA1CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144541-A4 DRILLING FLUID ADDITIVE AND PROCESS THEREWITH PHILLIPS PETROLEUM CO (US) 2003-06-04 EP claimed
EP-1144541-A1 DRILLING FLUID ADDITIVE AND PROCESS THEREWITH Phillips Petroleum Company (US) 2001-10-17 EP claimed
WO-2000020527-A1 DRILLING FLUID ADDITIVE AND PROCESS THEREWITH PHILLIPS PETROLEUM COMPANY (US) 2000-04-13 WO claimed
US-5118424-A Thin film composite membranes from vinyl and related nomomers IONICS INCORPORATED (US) 1992-06-02 US claimed