SCHEMBL9835745

SCHEMBL9835745

O=C(CCC(C(=O)OO)c1ccccc1)OO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX1 P07099 1/20 0.39
KMT2A Q03164 1/20 0.38
CHRM1 P11229 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SRC P12931 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 0.90 KMT2A (0.38) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL9835243 0.90 KMT2A (0.38) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL11043651 0.82 SMN1; SMN2 (0.41) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL10597656 0.81 CYP1A2 (0.46) CYP2D6CYP1A2CYP2C19KMT2AGAA
SCHEMBL10868246 0.78 POLB (0.48) SMN1; SMN2KMT2AGAAKDM4E
SCHEMBL19002198 0.78 KMT2A (0.53) SMN1; SMN2KMT2AGAAKDM4E
SCHEMBL7288615 0.77 MMP8 (0.49) CYP2D6SMN1; SMN2CYP2C19KMT2AGAA
SCHEMBL9835932 0.76 GABBR2 (0.43) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL28965999 0.75 GAA (0.53) KMT2AGAATDP1KDM4E
SCHEMBL192371 0.75 CYP2D6 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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-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