SCHEMBL8595689

SCHEMBL8595689

CC(C)(C)c1cc(C(=O)OCCO)cc(C2(C)CCCCC2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SERPINE1 P05121 4/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
ESR1 P03372 4/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RARA P10276 1/20 0.34
PTGDR Q13258 1/20 0.33

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
SCHEMBL7940323 0.84 ESR1 (0.47) GLATSHRALOX12SERPINE1ESR1
SCHEMBL7940424 0.83 GLA (0.41) GLATSHRALOX12SERPINE1GAA
SCHEMBL8400750 0.82 ALDH1A1 (0.34) GLATSHRALOX12GAAALOX5
SCHEMBL7943043 0.81 LMNA (0.49) SERPINE1ALOX5PTGS1PTGS2ESR1
SCHEMBL7933911 0.80 GAA (0.39) GLATSHRALOX12GAAALOX5
SCHEMBL7796578 0.80 RARG (0.47) GLATSHRALOX12ALOX5PTGS1
SCHEMBL7941409 0.79 RARB (0.50) TSHRSERPINE1GAAESR1RARB
SCHEMBL7943065 0.76 ESR1 (0.54) SERPINE1ESR1LMNARECQL
SCHEMBL7940670 0.75 GAA (0.38) SERPINE1GAAESR1LMNARECQL
SCHEMBL7942020 0.75 SLC29A1 (0.38) TSHRESR1LMNARARBRARG

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-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed