SCHEMBL31575868

SCHEMBL31575868

CCCCCOC(=O)c1cccc(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 2/20 0.53
ESR1 P03372 3/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
CNR2 P34972 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
GSK3B P49841 1/20 0.51

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
SCHEMBL14919190 0.95 L3MBTL1 (0.55) LMNATSHRCYP3A4MAPK1ESR1
SCHEMBL31575874 0.91 LMNA (0.60) LMNATSHRALDH1A1ESR1NPC1
SCHEMBL3870306 0.88 TSHR (0.64) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL9097534 0.87 LMNA (0.56) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL18668838 0.87 TDP1 (0.53) NPC1TDP1GSK3B
SCHEMBL1505251 0.86 GSK3B (0.55) NPC1RAB9ATDP1GSK3B
SCHEMBL106401 0.86 LMNA (0.66) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL5370832 0.86 LMNA (0.66) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL111221 0.86 LMNA (0.66) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL19348924 0.86 LMNA (0.66) LMNATSHRTP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN disclosed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN disclosed