SCHEMBL29709451

SCHEMBL29709451

COCCOCCOCCOc1csc(-c2cccs2)c1OCCOCCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
GLA P06280 4/20 0.38
GAA P10253 3/20 0.38
HTT P42858 1/20 0.36
P2RX3 P56373 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 8/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 6/20 0.34
CASP7 P55210 6/20 0.34
HSD17B10 Q99714 6/20 0.34
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 4/20 0.34
MAPK1 P28482 3/20 0.34

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
SCHEMBL15515495 1.00 KDM4E (0.38) KDM4EGLAGAAHTTP2RX3
SCHEMBL28818026 0.80 ALDH1A1 (0.39) KDM4EGAAHTTHPGDLMNA
SCHEMBL723251 0.80 ALDH1A1 (0.39) KDM4EGAAHTTHPGDLMNA
SCHEMBL19953474 0.77 SLC6A9 (0.41) KDM4EGLAGAAP2RX3HPGD
SCHEMBL10416237 0.75 ALDH1A1 (0.38) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL29142632 0.72 DPP4 (0.37) KDM4EGLAGAAHTTP2RX3
SCHEMBL31248001 0.72 DPP4 (0.37) KDM4EGLAGAAHTTP2RX3
SCHEMBL10584511 0.71 RPS6KB2 (0.46) KDM4EGAAHTTHPGDLMNA
SCHEMBL15548770 0.70 DPP4 (0.50) KDM4EGLAGAAHTTHPGD
SCHEMBL6128054 0.70 KDM4E (0.36) KDM4EGLAGAAHTTHPGD

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-4176262-A1 NANOBODY FUNCTIONALIZED ELECTROCHEMICAL TRANSISTORS AND METHODS OF MAKING AND USING THEREOF King Abdullah University Of Science And Technology (SA) 2023-05-10 EP disclosed
EP-4007911-A1 DEVICE FOR DETECTING ANALYTES IN A SAMPLE, AND METHODS OF USE THEREOF King Abdullah University Of Science And Technology (SA) 2022-06-08 EP disclosed