SCHEMBL7743860

SCHEMBL7743860

C=CCC(CC=C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
CTSS P25774 4/20 0.40
AAK1 Q2M2I8 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL22960729 0.93 CTSK (0.48) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL211054 0.91 CTSK (0.45) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL211053 0.91 CTSK (0.45) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL5196572 0.91 CTSK (0.45) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL12290180 0.91 CTSK (0.45) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL11137176 0.90 CTSK (0.44) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL17903258 0.89 CTSK (0.43) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL9073865 0.89 SYK (0.46) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL7275539 0.89 CTSK (0.43) CTSKCA1CA2CA7SMN1; SMN2
SCHEMBL7116478 0.89 CTSK (0.43) CTSKCA1CA2CA7SMN1; SMN2

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-1066236-A4 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE RES FOUNDATION OF (US) 2001-06-06 EP disclosed
EP-1066236-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE The Research Foundation of State University of New York (US) 2001-01-10 EP disclosed
WO-1999050214-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-07 WO disclosed
US-5962744-A USING CATALYST COMPLEX CONTAINING TRANSITION METAL AND PHOSPHITE LIGAND THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-05 US disclosed