SCHEMBL24313155

SCHEMBL24313155

CCCCCCCOc1ccc2c(=O)n(C)[nH]c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.44
HTR1B P28222 8/20 0.43
HTR1A P08908 7/20 0.43
HTR1D P28221 7/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR2A P28223 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL22769254 0.88 KDM4E (0.44) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL23895077 0.83 KDM4E (0.40) LMNAKDM4ETP53GAA
SCHEMBL5949102 0.75 PARP15 (0.46) LMNAKDM4ETP53HTR1BHTR1A
SCHEMBL12485019 0.75 NR5A1 (0.58) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL12483695 0.75 NR5A1 (0.58) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL9011532 0.73 NR5A1 (0.55) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL347395 0.71 LTA4H (0.50) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL12627591 0.70 NR5A1 (0.53) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL29285266 0.70 LTA4H (0.56) KDM4ETP53HTR1BHTR1AHTR1D
SCHEMBL345720 0.70 NR5A1 (0.56) KDM4ETP53HTR1BHTR1AHTR1D

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
EP-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 EP disclosed