SCHEMBL18502525

SCHEMBL18502525

CCO[P@@](C)(=O)SCCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL955878 1.00 MEN1 (0.38) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL10058453 0.87 TSHR (0.35) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL7869696 0.82 MEN1 (0.39) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL29394016 0.82 TSHR (0.36) MEN1KMT2ATSHRTP53TDP1
SCHEMBL121180 0.82 MEN1 (0.39) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL18295171 0.82
SCHEMBL21362842 0.82 CYP3A4 (0.42) TSHR
SCHEMBL961275 0.82
SCHEMBL5599016 0.81 MEN1 (0.38) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL20798220 0.79 MEN1 (0.37) MEN1GAACYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170043197-A1 Block Copolymer Complex Coacervate Core Micelles for Enzymatic Catalysis in Organic Solvent MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-02-16 US disclosed
US-20170043197-A1 Block Copolymer Complex Coacervate Core Micelles for Enzymatic Catalysis in Organic Solvent MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-02-16 US disclosed