SCHEMBL27426409

SCHEMBL27426409

COC(=O)C#CC(=O)c1cccc(CN)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.63
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
SLC7A5 Q01650 1/20 0.42
HTR2C P28335 1/20 0.41
CFD P00746 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ENPP2 Q13822 1/20 0.39
F10 P00742 2/20 0.38
PRSS1 P07477 1/20 0.38
LOX P28300 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 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
SCHEMBL27480455 0.84 LOXL2 (0.59) LOXL2CYP4A11SMN1; SMN2KDM4EF10
SCHEMBL8626440 0.78 HDAC8 (0.50) RAB9ASMN1; SMN2NPC1TP53
SCHEMBL307892 0.78 LOXL2 (1.00) LOXL2CYP4F2CYP4A11SLC7A5HTR2C
SCHEMBL29451790 0.78 LOXL2 (1.00) LOXL2CYP4F2CYP4A11SLC7A5HTR2C
SCHEMBL8630144 0.77 ERCC5 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL27926873 0.77 LOXL2 (0.69) LOXL2CYP4F2CYP4A11SLC7A5HTR2C
SCHEMBL8628090 0.77 CES2 (0.59) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL307062 0.76 LOXL2 (0.97) LOXL2CYP4F2CYP4A11SLC7A5HTR2C
Hydrochloric Acid SCHEMBL307891 0.76 LOXL2 (0.97) LOXL2CYP4F2CYP4A11SLC7A5HTR2C
SCHEMBL3198121 0.76 TSHR (0.52) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1

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-1109685-A Process for producing lignan compound SHIONOGI & CO (JP) 1995-10-04 CN disclosed