SCHEMBL19924838

SCHEMBL19924838

CCCCCCCCCCCC(N[C@@H](CS)C(=O)O)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.45
▸ GPR84 Q9NQS5 6/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ ZDHHC20 Q5W0Z9 1/20 0.43
▸ ZDHHC2 Q9UIJ5 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.41
▸ ACE P12821 3/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL10937100 0.83 GPR84 (0.47) NOD1GPR84MAPTKDM4ETHRB
SCHEMBL11378190 0.83 GPR84 (0.47) NOD1GPR84MAPTKDM4ETHRB
SCHEMBL11220090 0.82 GPR84 (0.57) NOD1GPR84MAPTFFAR1LCK
SCHEMBL17024089 0.82 GPR84 (0.57) NOD1GPR84MAPTFFAR1LCK
SCHEMBL20553469 0.82 ACE2 (0.46) NOD1GPR84MAPTKDM4ETHRB
SCHEMBL8859861 0.82 GPR84 (0.50) NOD1GPR84MAPTKDM4ETHRB
SCHEMBL25453667 0.78 FAAH (0.44) NOD1GPR84MAPTFFAR1LCK
SCHEMBL30853072 0.75 GPR84 (0.55) NOD1GPR84MAPTFFAR1LCK
SCHEMBL11351867 0.75 ACE (0.44) NOD1GPR84MAPTKDM4ETHRB
SCHEMBL11351874 0.75 ACE (0.44) NOD1GPR84MAPTKDM4ETHRB

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
EP-3507325-A2 COMPOUNDS, COMPOSITONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS Vyome Therapeutics Limited (IN) 2019-07-10 — — EP disclosed
WO-2018042367-A2 COMPOUNDS, COMPOSITONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS VYOME BIOSCIENCES PVT. LTD. (IN) 2018-03-08 — — WO disclosed
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