SCHEMBL8778642

SCHEMBL8778642

O=C(OOC(=O)c1ccoc1)c1ccoc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
F2 P00734 2/20 0.46
LMNA P02545 1/20 0.46
TRPA1 O75762 1/20 0.44
MAPT P10636 4/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRNB2 P17787 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
SCHEMBL826948 0.82
SCHEMBL6966817 0.82
Hydrochloric Acid SCHEMBL27597682 0.80 PTPN1 (0.50) PTPN1PTPN6PTPN11RAB9ANPC1
SCHEMBL27533173 0.79 PTPN1 (0.49) PTPN1PTPN6PTPN11RAB9ANPC1
SCHEMBL27374083 0.79 PTPN1 (0.49) PTPN1PTPN6PTPN11RAB9ANPC1
SCHEMBL8866037 0.77 TRPA1 (0.48) PTPN1PTPN6PTPN11RAB9ANPC1
SCHEMBL6830882 0.77 PTPN1 (0.47) PTPN1PTPN6PTPN11RAB9ANPC1
SCHEMBL27512281 0.77 PTPN1 (0.47) PTPN1PTPN6PTPN11RAB9ANPC1
SCHEMBL624090 0.77 CA12 (0.53) PTPN1PTPN6PTPN11LMNATRPA1
SCHEMBL28711897 0.77 CA12 (0.53) PTPN1PTPN6PTPN11RAB9ANPC1

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-0813522-A1 SOLID DIACYL ORGANIC PEROXIDE DISPERSIONS Akzo Nobel N.V. (NL) 1997-12-29 EP disclosed
US-5690856-A PASTE STABILIZER AKZO NOBEL N.V. (NL) 1997-11-25 US disclosed
WO-1996027586-A1 SOLID DIACYL ORGANIC PEROXIDE DISPERSIONS AKZO NOBEL N.V. (NL) 1996-09-12 WO disclosed