SCHEMBL31589529

SCHEMBL31589529

CC(=O)CC(=O)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
HPGD P15428 6/20 0.56
MAPT P10636 5/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 4/20 0.56
ALOX12 P18054 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 5/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 8/20 0.53
RAB9A P51151 2/20 0.53
KCNH2 Q12809 1/20 0.53
ALDH1A1 P00352 4/20 0.51
GAA P10253 4/20 0.51
MPO P05164 1/20 0.50
HIF1A Q16665 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL2240149 1.00 MEN1 (0.56) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL13513052 0.90 MEN1 (0.51) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL598345 0.87 MEN1 (0.69) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL10880799 0.82 CYP19A1 (0.56) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL23461371 0.81 HPGD (0.50) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL23461372 0.81 HPGD (0.50) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL1889598 0.81 KDM4E (0.59) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL1771830 0.80 NPC1 (0.61) MEN1KMT2AHPGDMAPTNPC1
Catechol SCHEMBL21296992 0.80 KDM4E (0.53) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL28882905 0.80 NPC1 (0.53) MEN1KMT2AHPGDMAPTNPC1

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
CN-120040408-A Colorimetric-near infrared dual-detection fluorescent probe for hypochlorous acid detection and preparation method and application thereof 镇江江南化工有限公司 2025-05-27 CN claimed
CN-120040408-A Colorimetric-near infrared dual-detection fluorescent probe for hypochlorous acid detection and preparation method and application thereof 镇江江南化工有限公司 2025-05-27 CN disclosed