SCHEMBL3497478

SCHEMBL3497478

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.66
MME P08473 2/20 0.62
OPRD1 P41143 2/20 0.60
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
REN P00797 1/20 0.53
BACE1 P56817 1/20 0.53

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
SCHEMBL3497475 1.00 LTA4H (0.66) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL29877019 0.97 LTA4H (0.69) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL30051506 0.95 LTA4H (0.72) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL30833335 0.93 LTA4H (0.61) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL30833336 0.93 LTA4H (0.61) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL30051385 0.93 LTA4H (0.62) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL29780321 0.92 LTA4H (0.76) LTA4HMMEOPRD1
SCHEMBL10443978 0.92 LTA4H (0.76) LTA4HMMEOPRD1
SCHEMBL1396480 0.92 LTA4H (0.76) LTA4HMMEOPRD1
SCHEMBL19707913 0.92 LTA4H (0.76) LTA4HMMEOPRD1

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
US-20210244785-A1 COMPOSITIONS AND METHODS FOR THE ANTISEPTIC TREATMENT OF BIOFILMS ON MAMMALIAN TISSUE AVADIM HOLDINGS, INC. 2021-08-12 US disclosed
US-20100166708-A1 ANTIMICROBIAL AND ANTI-INFLAMMATORY THERAPIES AND COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 US disclosed
WO-2008103751-A2 ANTIMICROBIAL AND ANTI-INFLAMMATORY THERAPIES AND COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-28 WO disclosed
US-7173007-B1 Therapy for microbial infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-02-06 US disclosed