SCHEMBL7616353

SCHEMBL7616353

[CH2]C=CCCCCCCC=CC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.32
FAAH O00519 4/20 0.32
TERT O14746 3/20 0.32
PTPN1 P18031 3/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
BLM P54132 2/20 0.32
HSD17B10 Q99714 2/20 0.32
FABP4 P15090 2/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
KMT2A Q03164 2/20 0.32
TOP1 P11387 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL25186129 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL21694629 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL19973844 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL25178914 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL21694628 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL25185568 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL19973843 1.00 SOAT1 (0.32) SOAT1FAAHTERTPTPN1PPARG
SCHEMBL144499 0.97
SCHEMBL144498 0.97
SCHEMBL19973768 0.92

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-1150673-A4 MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS NEWLAXANT L L C (US) 2002-04-24 EP disclosed
EP-1150673-A1 MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS Newlaxant, L.L.C. (US) 2001-11-07 EP disclosed
WO-2000044377-A1 MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS NEWLAXANT, L.L.C. (US) 2000-08-03 WO disclosed