SCHEMBL28599339

SCHEMBL28599339

CCCc1cc(Cl)cc(CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CNR1 P21554 1/20 0.38
IDO1 P14902 2/20 0.37
TSHR P16473 1/20 0.37
DAO P14920 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
GPR84 Q9NQS5 1/20 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
SCHEMBL7634231 0.94 TSHR (0.44) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL16952302 0.89 CNR2 (0.37) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL16956780 0.85 FFAR4 (0.39) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL7700304 0.85 CNR1 (0.46) CNR2ALDH1A1CNR1CYP3A4PTGS2
SCHEMBL13349208 0.84 DAO (0.39) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL16956777 0.84 CNR2 (0.34) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL9512031 0.84 PTGS2 (0.52) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL3790998 0.84 CYP3A4 (0.50) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL16952368 0.80 CNR2 (0.39) CNR2KDM4EALDH1A1POLBGAA
SCHEMBL14288599 0.80 PTGS2 (0.47) ALDH1A1CNR1DAOCYP3A4PTGS2

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-113121393-A Aromatic amide compound and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
CN-113121463-A Amide compound with bicyclic structure and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed