SCHEMBL11196372

SCHEMBL11196372

CCCCC(C=Cc1ccccc1)(CCCC)COc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.45
LTA4H P09960 2/20 0.42
PPARA Q07869 1/20 0.41
BCHE P06276 5/20 0.41
ACHE P22303 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2813638 0.84 CYP2C19 (0.44) RELABCHECYP1A2MAOBALDH1A1
SCHEMBL1618632 0.71 RELA (0.72) RELALTA4HPPARACYP1A2CYP3A4
SCHEMBL5741015 0.71 RELA (0.72) RELALTA4HPPARACYP1A2CYP3A4
SCHEMBL11204263 0.70 LTA4H (0.49) LTA4HCYP3A4HIF1AMAOAALDH1A1
SCHEMBL7101868 0.70 CYP2C19 (0.45) PPARACYP1A2ALDH1A1LMNASMN1; SMN2
SCHEMBL7101867 0.70 CYP2C19 (0.45) PPARACYP1A2ALDH1A1LMNASMN1; SMN2
SCHEMBL2622559 0.68 CHRNA7 (0.63) RELALTA4HPPARACYP1A2CYP3A4
SCHEMBL2785211 0.68 EGFR (0.45) RELAPPARAMAOBLMNASMN1; SMN2
SCHEMBL28456626 0.68 LTA4H (0.46) LTA4HPPARACYP3A4HIF1AMAOA
(Z)-1,2-Diphenylethene SCHEMBL28882092 0.67 RELA (0.54) RELACYP1A2CYP3A4THPOHIF1A

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-4391828-A Dibutylorthobenzylmethoxybenzenes and dibutylorthocinnamylmethoxybenzenes as mosquito larvae growth inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-07-05 US disclosed
US-4391828-A Dibutylorthobenzylmethoxybenzenes and dibutylorthocinnamylmethoxybenzenes as mosquito larvae growth inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-07-05 US disclosed
US-4391828-A Dibutylorthobenzylmethoxybenzenes and dibutylorthocinnamylmethoxybenzenes as mosquito larvae growth inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-07-05 US disclosed