SCHEMBL47378

SCHEMBL47378

CCOC(=O)CCn1ccnc1CC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.47
LMNA P02545 1/20 0.45
TNF P01375 4/20 0.44
ALPG P10696 2/20 0.43
PLAA Q9Y263 1/20 0.43
ALPL P05186 1/20 0.42
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
KAT2B Q92831 1/20 0.40
FAAH O00519 2/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL21167189 0.88 FPR2 (0.46) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL17889253 0.86 ESR1 (0.45) FPR2LMNATNFESR1
SCHEMBL25558600 0.85 ALPG (0.39) FPR2TNFALPGPLAAALPL
SCHEMBL2970107 0.84 ALDH1A1 (0.53) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL2825741 0.84 FPR2 (0.56) FPR2ALPGPLAAALPLALDH1A1
SCHEMBL22356833 0.84 FPR2 (0.43) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL28422751 0.83 FPR2 (0.48) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL5657880 0.81 TNF (0.47) TNF
SCHEMBL27886864 0.81 SMN1; SMN2 (0.58) FPR2ALPGPLAAALPLKMT2A
SCHEMBL15190292 0.80 ALPG (0.46) LMNAALPGPLAAALPLALDH1A1

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
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed