SCHEMBL10485773

SCHEMBL10485773

OC(CCCl)COc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 1/20 0.42
AR P10275 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
SCHEMBL1496558 0.85 MAPT (0.57) MAPTMAPK1KDM4ETDP1KMT2A
SCHEMBL10485804 0.84 CYP1A2 (0.57) MAPK1KMT2AALDH1A1MEN1TSHR
SCHEMBL10485735 0.82 CACNA1G (0.48) MAPTKMT2AALDH1A1MEN1TSHR
SCHEMBL10485766 0.82 USP2 (0.57) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL10485801 0.82 POLB (0.53) MAPTMAPK1KDM4EKMT2AALDH1A1
SCHEMBL10485538 0.81 LMNA (0.55) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL26964384 0.81 MAPK1 (0.54) MAPTMAPK1KDM4ETDP1KMT2A
SCHEMBL1496588 0.79 MAPT (0.58) MAPTMAPK1KDM4ETDP1KMT2A
SCHEMBL12663858 0.79 MAPT (0.58) MAPTMAPK1KDM4ETDP1KMT2A
SCHEMBL1496796 0.79 MAPK1 (0.59) MAPTMAPK1KDM4ETDP1KMT2A

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
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US disclosed
US-4806555-A CARDIAC ARRHYTHMIA INHIBITOR A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-21 US disclosed
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