SCHEMBL2516488

SCHEMBL2516488

CCCCCCC(OC(=O)OC(CCCCCC)C(CC)CCCC)C(CC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
GPR84 Q9NQS5 7/20 0.40
FFAR1 O14842 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FAAH O00519 3/20 0.38
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1404258 0.90 CA2 (0.36) CA2GPR84FFAR1ZDHHC7MAPT
SCHEMBL2516490 0.88 GPR84 (0.43) CA2GPR84FFAR1ZDHHC7MAPT
SCHEMBL1404257 0.87 CA2 (0.34) CA2GPR84FFAR1ZDHHC7MAPT
SCHEMBL1404264 0.86 CA2 (0.38) CA2CA1TRPV1
SCHEMBL28456703 0.86 CA2 (0.41) CA2GPR84FFAR1MAPTLCK
SCHEMBL28966454 0.85 LMNA (0.54) MAPTLMNA
SCHEMBL28920296 0.85 LMNA (0.54) MAPTLMNA
SCHEMBL3673911 0.85 TSHR (0.40) CA2GPR84FFAR1ZDHHC7MAPT
SCHEMBL1404263 0.83 CA2 (0.36) CA2CA1
SCHEMBL6046875 0.80 TSHR (0.45) GPR84FFAR1ZDHHC7MAPTLCK

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-9320922-B2 Transparent antiperspirant gels HENKEL AG & CO. KGAA (DE) 2016-04-26 US disclosed
US-8883130-B2 Transparent antiperspirant gels HENKEL AG & CO. KGAA (DE) 2014-11-11 US disclosed
US-20110250160-A1 TRANSPARENT ANTIPERSPIRANT GELS HENKEL AG & CO. KGAA (DE) 2011-10-13 US disclosed
US-20100260699-A1 Transparent Antiperspirant Gels HENKEL AG & CO. KGAA (DE) 2010-10-14 US disclosed