SCHEMBL9632640

SCHEMBL9632640

CC([Na])OCCOc1ccc(C(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ HIF1A Q16665 4/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ERBB2 P04626 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ FYN P06241 2/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ CHRM4 P08173 2/20 0.47
▸ CHRM5 P08912 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HSPD1 P10809 2/20 0.47
▸ CHRM1 P11229 2/20 0.47

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
SCHEMBL14685191 0.88 CYP3A4 (0.64) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
SCHEMBL29167471 0.85 CYP3A4 (0.60) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
SCHEMBL28121417 0.85 SMN1; SMN2 (0.65) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
Hydrochloric Acid SCHEMBL27231886 0.82 SMN1; SMN2 (0.57) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
SCHEMBL8679414 0.82 CYP3A4 (0.57) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
Hydrochloric Acid SCHEMBL26134088 0.81 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
SCHEMBL8506133 0.79 CYP3A4 (0.54) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
Potassium Ion SCHEMBL4542321 0.79 CYP3A4 (0.54) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
SCHEMBL11125566 0.79 CYP3A4 (0.70) CYP3A4SMN1; SMN2HIF1AHRH3MEN1
SCHEMBL11125563 0.78 CYP3A4 (0.68) CYP3A4SMN1; SMN2HIF1AHRH3MEN1

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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