SCHEMBL23072802

SCHEMBL23072802

CCC(C)(C)OC(=O)CCC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL21982916 0.90 TSHR (0.38) TSHRALDH1A1TDP1MEN1FAAH
SCHEMBL142215 0.89 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL19821840 0.81 TSHR (0.56) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL13785296 0.81 EGLN1 (0.43) TSHRALDH1A1TDP1MEN1CYP1A2
SCHEMBL16326707 0.81 ALDH1A1 (0.43) TSHRALDH1A1TDP1LMNA
SCHEMBL19822063 0.81 CYP1A2 (0.38) TSHRALDH1A1TDP1CYP1A2
SCHEMBL951742 0.80 STING1 (0.37) TSHRTDP1LMNA
SCHEMBL1998916 0.80 ALDH1A1 (0.50) TSHRALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL3067297 0.79 CYP1A2 (0.36) TSHRALDH1A1TDP1CYP1A2LMNA
SCHEMBL8011953 0.78 ALDH1A1 (0.35) TSHRALDH1A1TDP1

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
EP-3789411-A2 POLYMER RESIN Sumitomo Chemical Company, Limited (JP) 2021-03-10 EP disclosed