SCHEMBL8210772

SCHEMBL8210772

C=C(C)C(=O)OC.C=C(CCl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ELANE P08246 1/20 0.46
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
TRPA1 O75762 1/20 0.43
GSK3B P49841 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.41
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CES1 P23141 1/20 0.37

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
Benzoic Acid SCHEMBL28159311 0.81 ALDH1A1 (0.58) ALDH1A1ELANETSHRMAPTSMN1; SMN2
Benzil SCHEMBL3995499 0.81 ALDH1A1 (0.58) ALDH1A1ELANETSHRMAPTSMN1; SMN2
Benzophenone SCHEMBL28092925 0.81 ELANE (0.67) ALDH1A1ELANETSHRMAPTHPGD
SCHEMBL1413964 0.81 ALDH1A1 (0.58) ALDH1A1ELANEMAPK1TSHRMAPT
SCHEMBL19409831 0.80 MAOA (0.47) ALDH1A1MAPK1TRPA1GSK3BHIF1A
(Chloromethyl)Benzene SCHEMBL28290709 0.80 ALDH1A1 (0.52) ALDH1A1ELANETSHRKDM4ECYP3A4
Naphthalene SCHEMBL4378459 0.79 ALDH1A1 (0.65) ALDH1A1ELANETSHRHIF1AMAPT
SCHEMBL15851 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRTRPA1GSK3B
Benzoyl Peroxide SCHEMBL9642802 0.78 LMNA (0.61) ALDH1A1ELANETSHRMAPTSMN1; SMN2
Chlorobenzene SCHEMBL27545234 0.78 ALDH1A1 (0.58) ALDH1A1ELANETSHRMAPTSMN1; SMN2

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
US-6015480-A EXTENDING USELIFE OF CHLORIDE ION SELECTIVE MEMBRANE OF ISE SENSOR BY PROVIDING TWO-LAYER SENSOR STRUCTURE WHEREIN QUATERNIZED ION-SELECTIVE POLYMERIC LAYER IS POSITIONED BETWEEN SAMPLE TO BE ANALYZED AND CONVENTIONAL POLYMERIC ISE DADE BEHRING INC. (US) 2000-01-18 US disclosed