SCHEMBL9258914

SCHEMBL9258914

CC(=O)OC[C@@H]1C[C@@]1(COC(C)=O)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
ATM Q13315 1/20 0.36
MMP2 P08253 4/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 7/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL14938949 0.82 FOLH1 (0.45) STAT3ATMGAATSHRKMT2A
SCHEMBL8445805 0.82 FOLH1 (0.45) STAT3ATMGAATSHRKMT2A
SCHEMBL8447511 0.82 FOLH1 (0.45) STAT3ATMGAATSHRKMT2A
SCHEMBL9836356 0.77 FOLH1 (0.44) STAT3ATMGAATSHRKMT2A
SCHEMBL22666391 0.75 HCRTR2 (0.36) GAATSHRALDH1A1LMNAMAPT
SCHEMBL19857249 0.75 HCRTR2 (0.36) GAATSHRALDH1A1LMNAMAPT
SCHEMBL15213356 0.75 HCRTR2 (0.36) GAATSHRALDH1A1LMNAMAPT
SCHEMBL31709592 0.74 STAT3 (0.39) STAT3GAAKMT2AALDH1A1LMNA
SCHEMBL28173887 0.73 STAT3 (0.47) STAT3MMP2GAAKMT2AALDH1A1
SCHEMBL9260015 0.71 PRKCA (0.33) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449840-A Viricides AJINOMOTO CO., INC. (JP) 1995-09-12 US disclosed
US-5342840-A Viricides AJINOMOTO CO., INC. (JP) 1994-08-30 US disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP disclosed