SCHEMBL6980123

SCHEMBL6980123

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.60
PKM P14618 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
TGM2 P21980 5/20 0.55
F13A1 P00488 4/20 0.55
TGM1 P22735 2/20 0.55
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
CNR1 P21554 1/20 0.54

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
SCHEMBL7086266 0.97 ALDH1A1 (0.59) LSSPKMALDH1A1GAATGM2
SCHEMBL6972262 0.96 NPC1 (0.56) LSSPKMALDH1A1GAATGM2
SCHEMBL710366 0.90 TGM2 (0.64) PKMTGM2F13A1TGM1
SCHEMBL6974195 0.89 EPHX2 (0.53) TGM2F13A1TGM1
SCHEMBL6977155 0.86 TGM2 (0.62) PKMTGM2F13A1TGM1
SCHEMBL6979984 0.86 GAA (0.74) ALDH1A1GAATGM2F13A1TGM1
SCHEMBL6982617 0.85 GAA (0.65) PKMALDH1A1GAATGM2F13A1
SCHEMBL14490210 0.85 TGM2 (0.59) PKMALDH1A1TGM2F13A1TGM1
SCHEMBL5311528 0.83 CNR1 (0.74) LSSPKMALDH1A1TGM2F13A1
SCHEMBL6787216 0.83 KMT2A (0.65) PKMALDH1A1GAALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed