SCHEMBL8624161

SCHEMBL8624161

Cc1cc(OCc2ccccc2CCl)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MCL1 Q07820 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
TSHR P16473 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 1/20 0.45
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL13793643 0.88 MCL1 (0.53) MAPTALDH1A1GAAL3MBTL1MRGPRX4
SCHEMBL8623315 0.87 POLB (0.47) MAPTGAAL3MBTL1KMT2AMEN1
SCHEMBL8590581 0.82 MAPT (0.45) MAPTALDH1A1GAAL3MBTL1MRGPRX4
SCHEMBL1539419 0.82 ACHE (0.40) L3MBTL1MRGPRX4KMT2AHTR2AMAOA
SCHEMBL12894385 0.81 MAPT (0.46) MAPTALDH1A1GAAL3MBTL1MRGPRX4
SCHEMBL2556977 0.81 MAPT (0.49) MAPTALDH1A1GAAL3MBTL1MRGPRX4
SCHEMBL9306893 0.79 MRGPRX4 (0.68) ALDH1A1L3MBTL1MRGPRX4MCL1KMT2A
SCHEMBL1539409 0.78 LMNA (0.50) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL8622099 0.78 MAOB (0.47) MAPTNPC1RAB9AHTR1AHTR2A
SCHEMBL8622258 0.78 MAOB (0.47) MAPTALDH1A1GAAKMT2ATSHR

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
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed