SCHEMBL7084083

SCHEMBL7084083

COc1ccc[c]c1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
CNR2 P34972 1/20 0.42
STK10 O94804 1/20 0.39
SLK Q9H2G2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.38
AHR P35869 1/20 0.38
NQO1 P15559 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL2372578 0.83 APP (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL669469 0.79 CYP2A6 (0.40) MAPTALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL9614637 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCA1CA2CA12
SCHEMBL8124307 0.78 CA1 (0.41) ALDH1A1MEN1KMT2ARAB9ACA1
SCHEMBL18258983 0.78 CYP2A6 (0.39) MAPTALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL3598954 0.77 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9126593 0.77 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7370333 0.77 TP53 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8125032 0.77 NFE2L2 (0.42) MAPTALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL4284342 0.77 HTR7 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A

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
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed