SCHEMBL28620969

SCHEMBL28620969

[CH2]CCCCC(=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.51
WNT3A P56704 10/20 0.51
PTPN1 P18031 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD2 P14416 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9111787 0.95 CTNNB1 (0.53) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL14732971 0.89 CTNNB1 (0.61) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL8616416 0.87 CTNNB1 (0.56) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL30089515 0.82 CTNNB1 (0.68) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL11765622 0.82 HDAC3 (0.54) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL5661970 0.82 CTNNB1 (0.55) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL5257790 0.81 CTNNB1 (0.54) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL5257784 0.81 CTNNB1 (0.54) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL6383722 0.81 PTPN1 (0.58) CTNNB1WNT3APTPN1ERCC5FEN1
SCHEMBL7390218 0.81 CTNNB1 (0.50) CTNNB1WNT3APTPN1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117664949-A Detection method of surface-enhanced Raman nano particles and fentanyl substances 深圳海关工业品检测技术中心 2024-03-08 CN claimed
CN-113375997-B Method and product for detecting fentanyl compound 赛默飞世尔(上海)仪器有限公司 2022-02-18 CN claimed
CN-113375997-A Method and product for detecting fentanyl compound 赛默飞世尔(上海)仪器有限公司 2021-09-10 CN claimed
CN-117664949-A Detection method of surface-enhanced Raman nano particles and fentanyl substances 深圳海关工业品检测技术中心 2024-03-08 CN disclosed
CN-113375997-B Method and product for detecting fentanyl compound 赛默飞世尔(上海)仪器有限公司 2022-02-18 CN disclosed
CN-113375997-A Method and product for detecting fentanyl compound 赛默飞世尔(上海)仪器有限公司 2021-09-10 CN disclosed