SCHEMBL8565188

SCHEMBL8565188

CCCCCCCCCCCCCC(=O)N(CC)CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL9935060 1.00 LMNA (0.54) LMNACES2CES1CNR1CNR2
SCHEMBL25724104 1.00 LMNA (0.54) LMNACES2CES1CNR1CNR2
SCHEMBL822856 0.94 LMNA (0.60) LMNACNR1CNR2TRPV1HDAC11
Sulfuric Acid SCHEMBL28897633 0.93 LMNA (0.47) LMNACES2CES1CNR1CNR2
SCHEMBL3374822 0.92 CES2 (0.48) LMNACES2CES1CNR1GPR84
SCHEMBL284784 0.92 CES2 (0.48) LMNACES2CES1CNR1GPR84
SCHEMBL225819 0.92 CES2 (0.48) LMNACES2CES1CNR1GPR84
SCHEMBL3378863 0.92 CES2 (0.48) LMNACES2CES1CNR1GPR84
SCHEMBL16390288 0.92 CES2 (0.48) LMNACES2CES1CNR1GPR84
SCHEMBL3377092 0.92 CES2 (0.48) LMNACES2CES1CNR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5720946-A SYNERGISTIC EFFECT; DANDRUFF; PREVENTION ITCHING SHISEIDO COMPANY, LTD. (JP) 1998-02-24 US disclosed