SCHEMBL28913779

SCHEMBL28913779

OCCOCCOCCOCCOCCOCCOCCOc1cccc2cc3cc4ccccc4cc3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HTR1B P28222 3/20 0.46
HTR1D P28221 1/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA3 P22001 1/20 0.43
NCF1 P14598 10/20 0.42
CYBB P04839 2/20 0.42
NOX5 Q96PH1 1/20 0.42
IDO1 P14902 1/20 0.41
PTK2B Q14289 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28913618 0.91 HTR1B (0.50) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL27554043 0.89 HTR1B (0.51) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL16021963 0.84 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL28859138 0.84 HTR1B (0.53) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL8091013 0.84 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL16021973 0.84 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL16021983 0.84 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL16021969 0.84 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL28855276 0.83 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1HTR1B
SCHEMBL15501199 0.82 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689532-A Method for treating microporous membranes PPG工业俄亥俄公司 2021-04-20 CN disclosed