SCHEMBL9875360

SCHEMBL9875360

CC(C)C(=O)Oc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.54
ELANE P08246 2/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
BCHE P06276 1/20 0.46
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL25377 0.86 OGG1 (0.51) OGG1KMT2AL3MBTL1TRPV1BCHE
SCHEMBL29879678 0.86 OGG1 (0.51) OGG1KMT2AL3MBTL1TRPV1BCHE
SCHEMBL18335371 0.86 OGG1 (0.55) OGG1KMT2AL3MBTL1TRPV1BCHE
SCHEMBL29137024 0.86 OGG1 (0.51) OGG1KMT2AL3MBTL1TRPV1BCHE
SCHEMBL337714 0.83 CYP3A4 (0.63) OGG1KMT2ABCHECYP3A4LMNA
SCHEMBL15984587 0.83 OGG1 (0.46) OGG1KMT2AL3MBTL1TRPV1BCHE
SCHEMBL15984596 0.83 OGG1 (0.46) OGG1KMT2AL3MBTL1TRPV1BCHE
SCHEMBL31344417 0.82 P2RX4 (0.48) OGG1KMT2AL3MBTL1BCHEHPGD
SCHEMBL20296798 0.82 OGG1 (0.46) OGG1KMT2AL3MBTL1TRPV1BCHE
Ammonia Solution, Strong SCHEMBL28761898 0.81 CYP3A4 (0.61) OGG1KMT2ABCHECYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed