SCHEMBL8623315

SCHEMBL8623315

Cc1ccc(OCc2ccccc2CCl)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ESR1 P03372 1/20 0.47
TP53 P04637 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
RAB9A P51151 4/20 0.43
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 3/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8624161 0.87 MAPT (0.49) POLBTP53L3MBTL1DRD2HTR2A
SCHEMBL13794698 0.85 TDP1 (0.51) POLBESR1TP53APEX1MAPK1
SCHEMBL1539419 0.85 ACHE (0.40) POLBESR1TP53APEX1MAPK1
SCHEMBL1539409 0.81 LMNA (0.50) TP53DRD2DRD4DRD3RAB9A
SCHEMBL8622258 0.80 MAOB (0.47) POLBTP53MAPK1DRD2DRD4
SCHEMBL21083437 0.80 MAOB (0.55) POLBESR1TP53APEX1MAPK1
SCHEMBL18427029 0.80 DRD2 (0.44) POLBESR1TP53APEX1MAPK1
SCHEMBL8590230 0.80 POLB (0.47) POLBESR1TP53APEX1MAPK1
SCHEMBL8618327 0.79 GRM5 (0.39) TDP1L3MBTL1RAB9AMAOBMEN1
SCHEMBL1539428 0.78 PTGDR2 (0.42) HTR2ASLC6A4RAB9ARECQLNPC1

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