SCHEMBL9632628

SCHEMBL9632628

CC(C)(C)CC(C)(C)c1ccc(OCCOCC[Na])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ CYP3A4 P08684 4/20 0.62
▸ HIF1A Q16665 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ USP2 O75604 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ TSHR P16473 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ APAF1 O14727 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ RAD52 P43351 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HRH3 Q9Y5N1 3/20 0.57
▸ ERBB2 P04626 2/20 0.57
▸ FYN P06241 2/20 0.57
▸ CHRM2 P08172 2/20 0.57
▸ CHRM4 P08173 2/20 0.57
▸ CHRM5 P08912 2/20 0.57

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
SCHEMBL4314095 0.86 CYP3A4 (0.64) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL26132824 0.86 CYP3A4 (0.64) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL10037912 0.86 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL13932431 0.86 CYP3A4 (0.64) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL19382463 0.84 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL16198907 0.84 CYP3A4 (0.82) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL2961794 0.84 CYP3A4 (0.82) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL13932430 0.84 CYP3A4 (0.82) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL20168125 0.84 CYP3A4 (0.82) SMN1; SMN2CYP3A4HIF1ALMNAUSP2
SCHEMBL1091879 0.84 CYP3A4 (0.82) SMN1; SMN2CYP3A4HIF1ALMNAUSP2

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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