SCHEMBL8896541

SCHEMBL8896541

CC(=O)Oc1cccc(C)c1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.72
PTGER4 P35408 4/20 0.52
PTGER3 P43115 4/20 0.52
PTGER2 P43116 4/20 0.52
PTGER1 P34995 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL8897583 0.88 PTPN1 (0.60) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6200588 0.85 PTPN1 (0.64) PTPN1PTGER4PTGER3PTGER2RXRA
SCHEMBL6199847 0.84 PTPN1 (0.63) PTPN1HTR1AMAPK1L3MBTL1MAPT
SCHEMBL6199219 0.84 PTPN1 (0.63) PTPN1SMN1; SMN2MAPK1L3MBTL1MAPT
SCHEMBL6198469 0.84 PTPN1 (0.63) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL18066359 0.84 PTPN1 (1.00) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6200654 0.84 PTPN1 (0.63) PTPN1SMN1; SMN2RXRARXRBHTR1A
SCHEMBL9199757 0.83 PTPN1 (0.52) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL19612388 0.82 L3MBTL1 (0.67) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6200447 0.82 PTPN1 (0.60) PTPN1MAPK1L3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712493-A4 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMA CORP (US) 1997-01-15 EP disclosed
EP-0712493-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1996-05-22 EP disclosed
WO-1995004277-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1995-02-09 WO disclosed