SCHEMBL28968638

SCHEMBL28968638

CC(C)=CCC/C(C)=C\C(=O)C(=O)C(C)C1CC=C(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 3/20 0.42
PTPN1 P18031 2/20 0.42
LMNA P02545 1/20 0.42
STAT3 P40763 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.37
HSD11B1 P28845 1/20 0.35
TRPA1 O75762 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
TRPV1 Q8NER1 2/20 0.32

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
Citral SCHEMBL28968637 0.75 ALDH1A1 (0.48) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL3826222 0.72 CYP3A4 (0.50) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL18055923 0.70 ALOX15 (0.50) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL20195884 0.70 ALOX15 (0.50) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL8948282 0.69 CYP3A4 (0.35) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL14528164 0.68 LMNA (0.41) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL8948278 0.68 LMNA (0.43) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL23412280 0.68 ALOX15 (0.45) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL23412278 0.68 ALOX15 (0.45) CYP3A4ALOX15PTPN1LMNASTAT3
SCHEMBL28968636 0.67 CYP3A4 (0.41) CYP3A4ALOX15PTPN1LMNASTAT3

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-115792012-A Method for detecting fragrance components of rose dew and method for measuring fragrance component content of rose dew 兰州海关技术中心 2023-03-14 CN disclosed