SCHEMBL9112976

SCHEMBL9112976

CCCOC(=Cc1cccc(C(C)(C)C)c1)C(=O)c1ccc(OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9113070 0.95 POLB (0.41) EPHX2NR1H4MAOBMAOACYP3A4
SCHEMBL9113430 0.92 EPHX2 (0.44) EPHX2NR1H4MAOBMAOAL3MBTL1
SCHEMBL9111696 0.88 EPHX2 (0.46) EPHX2NR1H4MAOBMAOAL3MBTL1
SCHEMBL9112770 0.87 EPHX2 (0.43) EPHX2NR1H4MAOBMAOAL3MBTL1
SCHEMBL9112841 0.86 EPHX2 (0.42) EPHX2NR1H4MAOBMAOAL3MBTL1
SCHEMBL9202752 0.85 HDAC8 (0.39) EPHX2NR1H4MAOBCYP3A4CYP2C9
SCHEMBL9206463 0.81 CACNA1B (0.39) EPHX2NR1H4CYP3A4CYP2C9LMNA
SCHEMBL9198798 0.78 HDAC8 (0.40) EPHX2NR1H4MAOBLMNASMN1; SMN2
SCHEMBL27975595 0.71 LMNA (0.57) LMNASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL9200541 0.69 EPHX2 (0.41) EPHX2NR1H4MAOBLMNASMN1; 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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed