SCHEMBL9507934

SCHEMBL9507934

O=C(O)CC(=CCC(O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CPB1 P15086 1/20 0.44
CYP2C19 P33261 1/20 0.39
GRIK1 P39086 2/20 0.36
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABAT P80404 1/20 0.31
GRIK2 Q13002 1/20 0.31
FOLH1 Q04609 1/20 0.30
RIMKLA Q8IXN7 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL9410934 0.83 TSHR (0.45) TSHRKDM4ECPB1CYP2C19GRIK1
SCHEMBL720316 0.83 TSHR (0.45) TSHRKDM4ECPB1CYP2C19GRIK1
SCHEMBL720315 0.83 TSHR (0.45) TSHRKDM4ECPB1CYP2C19GRIK1
SCHEMBL28114947 0.81 TSHR (0.43) TSHRKDM4ECPB1CYP2C19GRIK1
SCHEMBL9507119 0.78 CPB1 (0.50) TSHRKDM4ECPB1CYP2C19GRIK1
SCHEMBL4887355 0.73 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL19407227 0.73 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL1674910 0.73 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL13541377 0.73 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL152922 0.71 TSHR (0.52) TSHRKDM4ECPB1CYP2C19GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349810-B1 PROCESS FOR THE PREPARATION OF ALKOXYLATED POLYMERS CONTAINING CARBONYL GROUPS BASF Aktiengesellschaft (DE) 1993-09-01 EP disclosed
EP-0285933-B1 USE OF ALKOXYLATED CARBOXYL GROUPS CONTAINING POLYMERISATES IN WASHING AGENTS BASF Aktiengesellschaft (DE) 1990-10-31 EP disclosed
EP-0349810-A2 Process for the preparation of alkoxylated polymers containing carbonyl groups BASF Aktiengesellschaft (DE) 1990-01-10 EP disclosed
EP-0285933-A1 Use of alkoxylated carboxyl groups containing polymerisates in washing agents BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed