SCHEMBL14565136

SCHEMBL14565136

COc1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.66
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
GAA P10253 1/20 0.65
TAAR1 Q96RJ0 1/20 0.65

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
SCHEMBL28220314 0.92 MGLL (0.74) MGLLNPC1RAB9AGAATAAR1
SCHEMBL27356866 0.91 GAA (0.71) MGLLNPC1RAB9AGAATAAR1
SCHEMBL10500886 0.88 NPC1 (0.60) MGLLNPC1RAB9AGAATAAR1
Hydrochloric Acid SCHEMBL10500877 0.87 NPC1 (0.58) MGLLNPC1RAB9AGAATAAR1
SCHEMBL1022182 0.86 MGLL (0.65) MGLL
SCHEMBL9270490 0.85 MGLL (0.63) MGLLNPC1RAB9AGAATAAR1
SCHEMBL8669664 0.84 GAA (0.63) MGLLNPC1RAB9AGAATAAR1
SCHEMBL27356858 0.84 NPC1 (0.63) MGLLNPC1RAB9AGAATAAR1
SCHEMBL1833084 0.84 MGLL (0.62) MGLL
SCHEMBL1838953 0.83 MGLL (0.66) MGLLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192451-B2 Fabric treatment UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2007-03-20 US disclosed
US-7192451-B2 Fabric treatment UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2007-03-20 US disclosed