SCHEMBL8972945

SCHEMBL8972945

C=COC(=O)C(C=C)CCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
NFKB1 P19838 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
BLM P54132 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCC4 O15439 1/20 0.37
MAPT P10636 1/20 0.37
ENPEP Q07075 3/20 0.35
GSTK1 Q9Y2Q3 2/20 0.35
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
PMP22 Q01453 1/20 0.33
FOLH1 Q04609 1/20 0.33
CAMK2A Q9UQM7 1/20 0.31

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
SCHEMBL4162929 0.93 ABCC4 (0.43) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL4166131 0.93 ABCC4 (0.43) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL4157172 0.93 ABCC4 (0.43) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL8973258 0.93 ABCC4 (0.43) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL27816827 0.80 TSHR (0.44) TSHR
SCHEMBL2950664 0.79 TSHR (0.47) TSHRNFKB1SLC6A2SLC6A4BLM
SCHEMBL28884882 0.77 ZDHHC7 (0.42) TSHRMAPT
SCHEMBL4238224 0.77 ZDHHC7 (0.42) TSHRMAPT
SCHEMBL8973164 0.77 SLC6A2 (0.32) TSHRNFKB1SLC6A2SLC6A4BLM
Hydrochloric Acid SCHEMBL8612873 0.77 TSHR (0.45) TSHRNFKB1SLC6A2SLC6A4BLM

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-5571882-A CONTACT LENSES CIBA-GEIBY CORPORATION (US) 1996-11-05 US disclosed
US-5488102-A MONOMERS FOR POLYMERS FOR HYDROGELS FOR CONTACT LENSES AND SURFACTANTS CIBA GEIGY CORPORATION (US) 1996-01-30 US disclosed