SCHEMBL9632633

SCHEMBL9632633

CC([Na])OC(C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ SHBG P04278 1/20 0.43
▸ MDH1 P40925 10/20 0.36
▸ MDH2 P40926 10/20 0.36
▸ HIF1A Q16665 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ APAF1 O14727 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ FYN P06241 2/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ HSPD1 P10809 2/20 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
SCHEMBL18844500 0.80 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL24564756 0.79 CYP3A4 (0.47) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL8506124 0.79 CYP3A4 (0.41) CYP3A4SMN1; SMN2SHBGMDH1MDH2
Potassium Ion SCHEMBL4542314 0.79 CYP3A4 (0.41) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL4619376 0.77 CYP3A4 (0.56) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL9632640 0.74 CYP3A4 (0.60) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL22351865 0.73 CYP3A4 (0.47) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL7740357 0.73 CYP3A4 (0.36) CYP3A4SMN1; SMN2SHBG
Hydrochloric Acid SCHEMBL2524640 0.73 SMN1; SMN2 (0.51) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL27768723 0.72 CYP3A4 (0.50) CYP3A4SMN1; SMN2SHBGMDH1MDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296656-B1 MANUFACTURE OF ANTISTATIC MATERIALS AGFA-GEVAERT N.V. (BE) 1992-05-20 — — EP disclosed
EP-0296656-A2 Manufacture of antistatic materials AGFA-GEVAERT N.V. (BE) 1988-12-28 — — EP disclosed
EP-0021749-B1 METHOD OF MANUFACTURE OF FLEXIBLE PHOTOGRAPHIC MATERIALS HAVING ANTICURL AND ANTISTATIC LAYERS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-01-19 — — EP disclosed
EP-0021749-A1 Method of manufacture of flexible photographic materials having anticurl and antistatic layers EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-01-07 — — EP disclosed
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