SCHEMBL1811252

SCHEMBL1811252

O=COC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
ABCC4 O15439 1/20 0.50
MAPT P10636 1/20 0.50
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
ALDH1A1 P00352 4/20 0.45
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
FABP4 P15090 2/20 0.44
ALOX15 P16050 2/20 0.44
PTPN1 P18031 2/20 0.44

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
SCHEMBL27887441 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL27732791 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL27928223 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL27917192 0.98 LMNA (0.52) TSHRLMNANFKB1PMP22ABCC4
Ammonia Solution, Strong SCHEMBL27661127 0.95 LMNA (0.50) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL5045326 0.93 TSHR (0.54) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL9621244 0.91 LMNA (0.45) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL8333539 0.91 LMNA (0.45) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL821271 0.91 LMNA (0.45) TSHRLMNANFKB1PMP22ABCC4
SCHEMBL21065429 0.91 LMNA (0.45) TSHRLMNANFKB1PMP22ABCC4

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-20110120645-A1 ENERGY-ACTIVATED ROOM TEMPERATURE-PUMPABLE POLYMER COMPOSITIONS AND DEVICES FOR ACTIVATING AND DISPENSING THE SAME LIQUAMELT CORP. (US) 2011-05-26 US disclosed