SCHEMBL11822945

SCHEMBL11822945

CCCCCCCCN1C(=O)C(C)(C)NC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 3/20 0.39
FAAH O00519 3/20 0.39
CNR1 P21554 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 3/20 0.36
ALOX5 P09917 2/20 0.36
ACP1 P24666 2/20 0.36
CDC25B P30305 2/20 0.36
GBA1 P04062 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL11849819 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL11830484 0.93 CNR1 (0.33) CNR1PTPN1ACP1CDC25BTP53
SCHEMBL11833779 0.82 POLB (0.37)
SCHEMBL2712956 0.82 PGR (0.35) ALDH1A1
SCHEMBL11446912 0.78 MGLL (0.50) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL6550307 0.78 MGLL (0.50) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL2712363 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6549504 0.76 POLB (0.32)
SCHEMBL11565666 0.75 ALOX5 (0.36) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL4935882 0.74

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-3971757-A STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1976-07-27 US disclosed