SCHEMBL9407889

SCHEMBL9407889

CCCCCCCCCCCCCCC(O)CCCN

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.56
FFAR4 Q5NUL3 1/20 0.55
FFAR1 O14842 1/20 0.55
DNM1 Q05193 8/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
EPHX1 P07099 1/20 0.55
GPR84 Q9NQS5 5/20 0.52
FDPS P14324 1/20 0.50

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
SCHEMBL27497134 1.00 SPHK1 (0.56) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL29263196 1.00 SPHK1 (0.56) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL6263739 1.00 SPHK1 (0.56) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL27512240 1.00 SPHK1 (0.56) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL27379396 1.00 SPHK1 (0.56) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL11514138 1.00 SPHK1 (0.56) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL11942323 0.98 SPHK1 (0.52) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL1289118 0.95 DNM1 (0.62) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL1330042 0.95 DNM1 (0.62) SPHK1FFAR4FFAR1DNM1MEN1
SCHEMBL27835122 0.95 DNM1 (0.62) SPHK1FFAR4FFAR1DNM1MEN1

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
CN-105636611-A Protein and peptide-free synthetic vaccines against streptococcus pneumoniae type 3 MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WSS E V 2016-06-01 CN disclosed
EP-0612839-A1 Liquid compositions for refrigeration systems containing fatty amines, fatty amides, and reaction products of fatty acylating agents The Lubrizol Corporation (US) 1994-08-31 EP disclosed