SCHEMBL9835243

SCHEMBL9835243

O=C(CCCC(C(=O)OO)c1ccccc1)OO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.37
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
TBXAS1 P24557 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10872680 1.00 KMT2A (0.38) KMT2AKDM4EMEN1RECQLCYP2D6
SCHEMBL9835745 0.90 CYP2D6 (0.39) KMT2AKDM4ECYP2D6CYP2C19CYP1A2
SCHEMBL10868246 0.82 POLB (0.48) KMT2AKDM4EMEN1RECQLSMN1; SMN2
SCHEMBL11043651 0.80 SMN1; SMN2 (0.41) KMT2AKDM4ECYP2D6CYP2C19CYP1A2
SCHEMBL10597656 0.78 CYP1A2 (0.46) KMT2AKDM4ECYP2D6CYP2C19CYP1A2
SCHEMBL9833908 0.75 FOLH1 (0.49) KMT2AKDM4EMEN1RECQLCYP1A2
SCHEMBL9139109 0.75 C3AR1 (0.47) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL27608413 0.73 MMP8 (0.48) KMT2AKDM4EMEN1SMN1; SMN2CHRM1
SCHEMBL28965999 0.73 GAA (0.53) KMT2AKDM4EMEN1RECQLGAA
SCHEMBL28624026 0.72 ALDH1A1 (0.39) KMT2ACYP2D6CYP2C19CYP1A2PKM

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-0206624-B1 DIPEROXY ACIDS AND BLEACHING THEREWITH THE PROCTER & GAMBLE COMPANY (US) 1991-10-16 EP disclosed
US-4876046-A ANTISEPTICS AND BLEACHES THE PROCTER & GAMBLE COMPANY (US) 1989-10-24 US disclosed
EP-0206624-A2 Diperoxy acids and bleaching therewith THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 EP disclosed