SCHEMBL3501718

SCHEMBL3501718

O=C(O)CCCCCCCC(CC(O)CO)(CC(O)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GPR84 Q9NQS5 4/20 0.42
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 3/20 0.42
PRMT1 Q99873 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PPARG P37231 5/20 0.36
PPARD Q03181 5/20 0.36
PPARA Q07869 5/20 0.36
HDAC11 Q96DB2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL3502848 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL380176 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3503244 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL10800123 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3503242 1.00 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL29540422 0.93 CAMK2A (0.38) TSHRLMNANFKB1PMP22GPR84
Stearic Acid SCHEMBL1531462 0.92 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL15642708 0.89 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL8680832 0.89 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG
SCHEMBL5738656 0.89 FFAR4 (0.54) TSHRGPR84FFAR1FFAR4PPARG

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-20100210745-A1 Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes REACTIVE SURFACES, LTD. (US) 2010-08-19 US disclosed