SCHEMBL4384013

SCHEMBL4384013

C=C(C)C(=O)OCC(CCCCC)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CA1 P00915 2/20 0.41
FAAH O00519 1/20 0.39
THRB P10828 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.35
FDPS P14324 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PRKCA P17252 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
SCHEMBL22231278 0.88 TSHR (0.58) TSHRTHRB
SCHEMBL28294683 0.84 TSHR (0.63) TSHRCA1FAAHTHRBACE2
SCHEMBL650573 0.84 TSHR (0.73) TSHRFAAHTHRBGPR84FFAR1
SCHEMBL6670935 0.84 TSHR (0.53) TSHRCA1FAAHTHRBMAPT
SCHEMBL28714860 0.84 TSHR (0.50) TSHRCA1FAAHTHRBACE2
SCHEMBL6457085 0.83 TSHR (0.56) TSHRCA1FAAHTHRBACE2
SCHEMBL652336 0.82 TSHR (0.59) TSHRCA1FAAHTHRBACE2
SCHEMBL6455857 0.82 TSHR (0.59) TSHRCA1FAAHTHRBACE2
SCHEMBL8204683 0.82 TSHR (0.59) TSHRCA1FAAHTHRBACE2
SCHEMBL6748216 0.82 TSHR (0.59) TSHRCA1FAAHTHRBACE2

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-2078786-A2 Method for printing on non-white absorbent materials BASF SE (DE) 2009-07-15 EP disclosed