SCHEMBL10072300

SCHEMBL10072300

COC(=O)C1C2C=CC(C2)C1C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
PTPRC P08575 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
POLB P06746 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35

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
SCHEMBL102611 0.93 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PTPRCPTPN2PTPN1
SCHEMBL24037757 0.93 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PTPRCPTPN2PTPN1
SCHEMBL30363373 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL28062749 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL5732376 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL7197213 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL14827588 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL147771 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL18461270 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PTPN1POLBHTT
SCHEMBL3363662 0.86 POLB (0.51) SMN1; SMN2ALDH1A1PTPRCPTPN2PTPN1

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-20120027974-A1 Polymer Having Unsaturated Cycloaliphatic Functionality and Coating Compositions Therefrom VALSPAR SOURCING, INC. (US) 2012-02-02 US disclosed