SCHEMBL8375457

SCHEMBL8375457

CNC(=O)c1ccccc1.O=C(CCc1ccccc1)OO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PLK1 P53350 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALOX12 P18054 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HDAC1 Q13547 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8376797 0.85 KDM4E (0.52) KDM4ETDP1HPGDSMN1; SMN2KMT2A
SCHEMBL337736 0.83 TDP1 (0.70) TDP1ALDH1A1SMN1; SMN2KMT2AHTT
Acetone SCHEMBL16013121 0.82 TDP1 (0.63) KDM4ETDP1ALDH1A1SMN1; SMN2KMT2A
Butane SCHEMBL27593871 0.80 TDP1 (0.61) KDM4ETDP1HPGDALDH1A1KMT2A
SCHEMBL8375540 0.77 EPHX1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
Alcohol SCHEMBL6831415 0.76 PLK1 (0.59) KDM4EHPGDALDH1A1SMN1; SMN2PLK1
SCHEMBL6100 0.76 HDAC8 (0.62) HPGDALDH1A1SMN1; SMN2PLK1KMT2A
SCHEMBL63816 0.76 SLC7A5 (0.52) KDM4EHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL353132 0.75 HDAC2 (0.68) KDM4EHPGDALDH1A1SMN1; SMN2KMT2A
Methyl 3-Phenylpropanoate SCHEMBL168711 0.75 TDP1 (0.68) KDM4ETDP1ALDH1A1KMT2AHTT

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-0734377-B1 PERCARBOXYLIC ACIDS SOLVAY INTEROX LTD (GB) 1999-08-25 EP disclosed
US-5914303-A FOR BLEACHING, WASHING, DISINFECTING SOLVAY INTEROX LIMITED (GB) 1999-06-22 US disclosed