SCHEMBL9204367

SCHEMBL9204367

C=CC(=O)NC(O)C(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.35
TGM2 P21980 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 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
SCHEMBL20613908 0.81 TSHR (0.59) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL18755249 0.81 TSHR (0.59) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL2837013 0.81 TSHR (0.59) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL151457 0.81 TSHR (0.59) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL6209915 0.77
SCHEMBL275353 0.75 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL29026250 0.75 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL3932401 0.74 TSHR (0.70) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL3888297 0.73 TSHR (0.62) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL28341390 0.73 TSHR (0.62) TSHRALDH1A1MAPK1TDP1CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413188-B1 Method for producung an unmodified intravenous IgM- and/or IgA-containing immunoglobulin preparation BIOTEST PHARMA GMBH (DE) 1995-02-01 EP disclosed
EP-0370226-A1 Photographic silver halide material, and method of processing it Agfa-Gevaert AG (DE) 1990-05-30 EP disclosed
US-4415647-A HOMO-AND COPOLYMERS OF ACRYLAMIDES AND HYDROXYALKYLACRYLAMIDES AND-ACRYLATES; COLOR FILMS; COLOR PHOTOGRAPHY; SHARPNESS EASTMAN KODAK COMPANY (US) 1983-11-15 US disclosed