SCHEMBL8973258

SCHEMBL8973258

C=COC(=O)C(C=C)CCCCCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
LMNA P02545 2/20 0.40
PMP22 Q01453 1/20 0.40
GSTK1 Q9Y2Q3 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
BLM P54132 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ENPEP Q07075 1/20 0.36
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL4166131 1.00 ABCC4 (0.43) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL4162929 1.00 ABCC4 (0.43) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL4157172 1.00 ABCC4 (0.43) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL8972945 0.93 TSHR (0.40) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL30988911 0.83 ABCC4 (0.40) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL28884882 0.81 ZDHHC7 (0.42) MAPTTSHRFFAR1GPR84
SCHEMBL4238224 0.81 ZDHHC7 (0.42) MAPTTSHRFFAR1GPR84
SCHEMBL8752677 0.80 ABCC4 (0.50) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL4937776 0.80 ABCC4 (0.50) ABCC4MAPTTSHRNFKB1LMNA
SCHEMBL8752692 0.80 ABCC4 (0.50) ABCC4MAPTTSHRNFKB1LMNA

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