SCHEMBL31047993

SCHEMBL31047993

CCCCCCCCc1ccccc1C=CCCCCCCCCCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.55
MEN1 O00255 1/20 0.55
FAAH O00519 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 3/20 0.55
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
MMP2 P08253 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
ECE1 P42892 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
MUS81 Q96NY9 1/20 0.49

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
SCHEMBL25713061 1.00 SOAT1 (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL25713060 1.00 SOAT1 (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL30462675 1.00 SOAT1 (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL27875985 0.88 F7 (0.49) KDM4ECYSLTR2CYSLTR1F7F3
SCHEMBL25713054 0.86 EPHX2 (0.48) SOAT1FAAHKDM4ECYSLTR2CYSLTR1
SCHEMBL31348947 0.86 EPHX2 (0.48) SOAT1FAAHKDM4ECYSLTR2CYSLTR1
SCHEMBL25713055 0.86 EPHX2 (0.48) SOAT1FAAHKDM4ECYSLTR2CYSLTR1
SCHEMBL27876083 0.86 F7 (0.47) KDM4ECYSLTR2CYSLTR1F7F3
SCHEMBL9802025 0.85 LIPG (0.49) KDM4ECYSLTR2CYSLTR1F7F3
SCHEMBL9802035 0.85 LIPG (0.49) KDM4ECYSLTR2CYSLTR1F7F3

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-118510752-A Compounds for the treatment of bacterial diseases and methods of use thereof 北京大学 2024-08-16 CN disclosed