SCHEMBL28777981

SCHEMBL28777981

N#Cc1ccc(CCCc2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
CES1 P23141 2/20 0.45
HTR2A P28223 1/20 0.41
HTR2B P41595 2/20 0.39
NAAA Q02083 1/20 0.39
MAOA P21397 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOB P27338 2/20 0.38
MIF P14174 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37

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
SCHEMBL28311790 0.81 ADORA2A (0.41) FAAHCES1MAOB
SCHEMBL28778004 0.78 FAAH (0.33) FAAHCES1HTR2B
SCHEMBL28777963 0.78 FAAH (0.33) FAAHCES1
SCHEMBL28778041 0.78 ATM (0.33) FAAH
SCHEMBL28777967 0.74 CNR2 (0.30)
SCHEMBL28777965 0.74 CYP2C8 (0.35)
SCHEMBL54347 0.71 HTR2A (0.70) HTR2AMAOASIGMAR1MAOB
SCHEMBL19090384 0.69 SIGMAR1 (0.47) MAOASIGMAR1
Hydrocinnamyl Alcohol SCHEMBL27600091 0.69 TDP1 (0.58) HTR2AMAOASIGMAR1MAOBMIF
SCHEMBL3299984 0.69

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-114685408-B Preparation method of alkyl furan compound 华南理工大学 2024-04-23 CN disclosed
CN-114685408-A Preparation method of alkyl furan compound 华南理工大学 2022-07-01 CN disclosed