SCHEMBL9729977

SCHEMBL9729977

CCCCCCCCOc1cc(O)ccc1-c1ccccc1.CCCCOC(C)C(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
PTPN11 Q06124 5/20 0.43
CNR2 P34972 6/20 0.42
CNR1 P21554 4/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL9729980 0.88 KDM4E (0.47) THRATHRBKDM4EALDH1A1PTPN11
SCHEMBL9194402 0.84 KDM4E (0.50) THRATHRBKDM4EALDH1A1PTPN11
SCHEMBL9636701 0.84 KDM4E (0.50) THRATHRBKDM4EALDH1A1PTPN11
SCHEMBL9224458 0.84 KDM4E (0.50) THRATHRBKDM4EALDH1A1PTPN11
SCHEMBL8880080 0.83 KDM4E (0.51) THRATHRBKDM4EALDH1A1PTPN11
Methane SCHEMBL27790275 0.82 KDM4E (0.50) THRATHRBKDM4EALDH1A1PTPN11
SCHEMBL4598873 0.77 PTPN11 (0.60) THRATHRBALDH1A1PTPN11
SCHEMBL8769895 0.77 PTPN11 (0.60) THRATHRBALDH1A1PTPN11
SCHEMBL8986588 0.77 PTPN11 (0.60) THRATHRBALDH1A1PTPN11
SCHEMBL10871798 0.77 PTPN11 (0.60) THRATHRBALDH1A1PTPN11

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-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed