SCHEMBL7829889

SCHEMBL7829889

CC1(C)OC=C(c2cc3ccccc3o2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NPY1R P25929 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 2/20 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
SCHEMBL103158 0.70 MAOB (0.63) PTPRCPTPN1MAOBMAOANPC1
SCHEMBL30036439 0.70 MAOB (0.63) PTPRCPTPN1MAOBMAOANPC1
SCHEMBL4267264 0.70 PRKDC (0.40) PTPRCPTPN1MAOBMAOAKMT2A
SCHEMBL4269309 0.68 PTPRC (0.40) PTPRCPTPN1MAOBMAOAKMT2A
SCHEMBL2150499 0.66 MAOB (0.59) PTPRCPTPN1MAOBMAOANPC1
SCHEMBL30417366 0.65 RAB9A (0.68) PTPRCPTPN1MAOBMAOAKMT2A
SCHEMBL7125605 0.65 MAOB (0.68) PTPRCPTPN1MAOBMAOAKMT2A
SCHEMBL2149640 0.65 MAOB (0.57) PTPRCPTPN1MAOBMAOANPC1
SCHEMBL7125503 0.64 MAOB (0.52) PTPRCPTPN1MAOBMAOAKMT2A
SCHEMBL731363 0.63 MAOB (0.71) PTPRCPTPN1MAOBMAOAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed