SCHEMBL10698935

SCHEMBL10698935

Cc1ccc(OCCC(C)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.45
EPHX2 P34913 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
WDR5 P61964 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
SCHEMBL14959985 1.00 L3MBTL1 (0.52) L3MBTL1MEN1KMT2ADRD2DRD4
SCHEMBL7804270 0.89 MEN1 (0.53) L3MBTL1MEN1KMT2ADRD2DRD4
SCHEMBL13401927 0.87 MEN1 (0.51) L3MBTL1MEN1KMT2ADRD2DRD4
SCHEMBL10699565 0.84 MAPT (0.49) L3MBTL1DRD2DRD4DRD3TDP1
SCHEMBL2926534 0.83 TDP1 (0.68) L3MBTL1MEN1KMT2ADRD2DRD4
SCHEMBL3396410 0.83 DRD2 (0.67) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL24418950 0.82 L3MBTL1 (0.50) L3MBTL1MEN1KMT2ADRD2DRD4
SCHEMBL6139276 0.82 TDP1 (0.72) KMT2ATDP1MAPK1NPC1EPHX2
SCHEMBL22604524 0.82 MAPT (0.49) L3MBTL1MEN1KMT2ADRD2DRD4
SCHEMBL9721752 0.82 TDP1 (0.47) L3MBTL1MEN1KMT2ADRD2DRD4

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-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed