SCHEMBL28486126

SCHEMBL28486126

CCCc1ccc2[nH]c(C(=O)OC)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
XDH P47989 2/20 0.55
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 5/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MMP13 P45452 5/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MMP2 P08253 4/20 0.48
MAPT P10636 4/20 0.47
MMP14 P50281 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL6517075 0.90 KDM4E (0.63) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL6521759 0.87 XDH (0.54) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL6515598 0.84 XDH (0.56) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL7856278 0.84 XDH (0.56) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL28474583 0.84 PIN1 (0.59) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28482552 0.83 KDM4E (0.59) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL28474641 0.83 KDM4E (0.59) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL28476819 0.82 KDM4E (0.51) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6521757 0.81 XDH (0.53) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL6282515 0.80 XDH (0.53) KDM4EXDHRAB9AALDH1A1HPGD

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-111841896-B Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2022-10-18 CN disclosed
CN-111841896-A Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2020-10-30 CN disclosed