SCHEMBL466576

SCHEMBL466576

C=C(N)CCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.56
SPHK1 Q9NYA1 1/20 0.56
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
FAAH O00519 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT1 P35610 1/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
GPR84 Q9NQS5 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46

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
SCHEMBL466890 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL14278987 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL466777 1.00
SCHEMBL19369665 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL10052558 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL23221953 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL467045 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL20055685 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL22765909 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH
SCHEMBL466645 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787167-A Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2022-07-22 CN claimed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO claimed
CN-114787167-B Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2024-06-21 CN disclosed
CN-114787167-A Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2022-07-22 CN disclosed
WO-2017156074-A1 CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-8877857-B2 Polar group-containing copolymer, rubber composition and studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-11-04 US disclosed
EP-2404944-B1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
US-20120095153-A1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
EP-2404944-A1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE Sumitomo Rubber Industries, Ltd. (JP) 2012-01-11 EP disclosed
EP-2042925-A2 Resist composition and pattern-forming method using the same FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
EP-1906241-A1 Resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-04-02 EP disclosed