SCHEMBL9693191

SCHEMBL9693191

O=C1CC=C(c2ccccc2)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
BACE1 P56817 4/20 0.37
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
CDC25B P30305 1/20 0.37
STK17B O94768 1/20 0.37
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL28873124 0.72 PTPN1 (0.47) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL1354897 0.71 OPRD1 (0.41) OPRD1OPRK1KCNH2BACE1PTPN1
SCHEMBL982857 0.70 SMN1; SMN2 (0.39) PKMTDP1KDM4EHSD17B10ALDH1A1
SCHEMBL170839 0.67 ALDH1A1 (0.39) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL29598333 0.67 ALDH1A1 (0.39) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL7255969 0.67 CTRC (0.39) PKMTSHRKDM4EHSD17B10ALDH1A1
SCHEMBL6919772 0.67 GABRA1 (0.54) OPRK1KCNH2TDP1KDM4EALDH1A1
SCHEMBL8191410 0.66 BACE1 (0.44) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL2604370 0.66 MAOB (0.43) STK17BPKMTSHRALOX15TDP1
SCHEMBL29366641 0.66 MAOB (0.43) STK17BPKMTSHRALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744797-A1 DYRK1 INHIBITORS AND USES THEREOF Diaxonhit (FR) 2014-06-25 EP disclosed
WO-2013026806-A1 DYRK1 INHIBITORS AND USES THEREOF EXONHIT SA (FR) 2013-02-28 WO disclosed
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed
EP-0187524-B1 A DIARYL BUTYRIC ACID DERIVATIVE AND THE PRODUCTION PROCESS THEREOF SUNTORY LIMITED (JP) 1992-07-29 EP disclosed
US-4766116-A NERVOUS SYSTEM DISORDERS SUNTORY LIMITED (JP) 1988-08-23 US disclosed
EP-0187524-A2 A diaryl butyric acid derivative and the production process thereof SUNTORY LIMITED (JP) 1986-07-16 EP disclosed