SCHEMBL9702032

SCHEMBL9702032

NC(=O)CCCCCCCCCCS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
LMNA P02545 5/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 2/20 0.42
SLC6A6 P31641 1/20 0.42
SOAT1 P35610 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 1/20 0.37
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL20902773 1.00 APP (0.50) APPLMNACYP2C19BLMSLC6A6
SCHEMBL19569862 1.00 APP (0.50) APPLMNACYP2C19BLMSLC6A6
SCHEMBL8592959 0.97 APP (0.52) APPLMNACYP2C19BLMSLC6A6
SCHEMBL177559 0.90 APP (0.55) APPLMNACYP2C19BLMSLC6A6
SCHEMBL177845 0.87 APP (0.52) APPLMNACYP2C19BLMSLC6A6
SCHEMBL177764 0.87 APP (0.52) APPLMNACYP2C19BLMSLC6A6
Succinamide SCHEMBL29069526 0.83 EPHX2 (0.49) APPCYP2C19SOAT1MEN1KMT2A
SCHEMBL3359743 0.82 APEX1 (0.42) LMNACYP2C19SOAT1MEN1KMT2A
SCHEMBL20894935 0.82 APP (0.46) APPLMNACYP2C19BLMSLC6A6
SCHEMBL3359740 0.82 KMT2A (0.40) LMNACYP2C19BLMSOAT1MEN1

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
WO-1992013843-A1 SYNTHESIS OF INTERMEDIATES IN THE PREPARATION OF ACAT INHIBITORS PFIZER INC. (US) 1992-08-20 WO disclosed