SCHEMBL11287262

SCHEMBL11287262

CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)[N+](C)(C)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
GPR84 Q9NQS5 8/20 0.43
SPHK1 Q9NYA1 2/20 0.43
FFAR1 O14842 1/20 0.43
PSMD14 O00487 2/20 0.43
PLA2G1B P04054 2/20 0.43
MMP2 P08253 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
CYP2D6 P10635 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL27552043 1.00 LSS (0.44) LSSGPR84SPHK1FFAR1PSMD14
SCHEMBL29276590 0.89 FFAR1 (0.45) FFAR1MMP2LMNAGMNNPOLB
SCHEMBL1628046 0.81 LSS (0.48) LSSLMNAHTTCA2
SCHEMBL230952 0.81 LSS (0.48) LSSLMNAHTTCA2
SCHEMBL31080991 0.81 LSS (0.48) LSSLMNAHTTCA2
SCHEMBL15055194 0.81 GPR84 (0.46) GPR84SPHK1FFAR1PSMD14PLA2G1B
SCHEMBL11348771 0.81 LSS (0.48) LSSLMNAHTTCA2
SCHEMBL10769304 0.81 GPR84 (0.46) GPR84SPHK1FFAR1PSMD14PLA2G1B
SCHEMBL4410050 0.81 LSS (0.48) LSSLMNAHTTCA2
SCHEMBL10360428 0.81 LSS (0.48) LSSLMNAHTTCA2

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
EP-0052972-A1 Fabric conditioning article, method of manufacturing same, and method of conditioning clothes therewith BEECHAM INC. (US) 1982-06-02 EP disclosed