SCHEMBL9237332

SCHEMBL9237332

OCC(F)(CO)CCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.48
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CA1 P00915 1/20 0.41
CHRM3 P20309 5/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NAAA Q02083 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8743553 0.86 KDM4E (0.50) KDM4EPOLBTSHRPTPN2PTPN1
SCHEMBL30782112 0.83 KDM4E (0.47) KDM4EPOLBTSHRPTPN2PTPN1
SCHEMBL9565497 0.81 KDM4E (0.62) KDM4EPOLBTSHRCA1CES1
SCHEMBL9241218 0.81 KDM4E (0.53) KDM4EPOLBTSHRCA1CHRM3
SCHEMBL8352025 0.81 KDM4E (0.53) KDM4EPOLBTSHRCA1CHRM3
SCHEMBL28776126 0.81 TSHR (0.56) KDM4EPOLBTSHRPTPN2PTPN1
SCHEMBL21068792 0.81 TSHR (0.47) KDM4EPOLBTSHRPTPN2PTPN1
SCHEMBL9241304 0.80 KDM4E (0.51) KDM4EPOLBTSHRCA1CHRM3
SCHEMBL21068743 0.79 TSHR (0.45) KDM4EPOLBTSHRPTPN2PTPN1
SCHEMBL9233739 0.79 KDM4E (0.50) KDM4EPOLBTSHRCA1CHRM3

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
WO-1995022330-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-08-24 WO disclosed