SCHEMBL8416664

SCHEMBL8416664

C/C=C/c1ccccc1OCCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
NFE2L2 Q16236 4/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL8415662 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9722020 0.89 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9722015 0.89 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9625931 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9626007 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL29673014 0.84 CYP1A2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL25117781 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9788863 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL29362256 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL15378255 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD

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-5866611-A PHENOXYPROPYLAMINE INHIBITORS OF SQUALENE SYNTHESE, USEFUL IN TREATING DISEASES IN WHICH A LOWERING OF CHOLESTEROL IS DESIRABLE. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0589018-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1994-03-30 EP disclosed
WO-1993020807-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1993-10-28 WO disclosed