SCHEMBL8519655

SCHEMBL8519655

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
ALOX15 P16050 3/20 0.37
CA1 P00915 2/20 0.36
BLM P54132 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GRIK1 P39086 1/20 0.33
TSHR P16473 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL574289 0.79 KDM1A (0.41) KDM1AALOX15CA1BLMALDH1A1
SCHEMBL27628 0.79 KDM1A (0.41) KDM1AALOX15CA1BLMALDH1A1
SCHEMBL7801154 0.77 KDM1A (0.36) KDM1AALOX15CA1BLMGRIK1
SCHEMBL7801162 0.77 KDM1A (0.36) KDM1AALOX15CA1BLMGRIK1
SCHEMBL455204 0.76 GRIK1 (0.42) KDM1ACA1BLMALDH1A1GRIK1
SCHEMBL4078788 0.75 GRIK1 (0.48) ALDH1A1GRIK1
SCHEMBL669944 0.75 GRIK1 (0.48) ALDH1A1GRIK1
SCHEMBL451000 0.73 KDM4E (0.43) KDM1AALDH1A1
SCHEMBL649786 0.73 MAPT (0.47) ALDH1A1
Methacrylic Acid SCHEMBL29144593 0.73 TSHR (0.38) KDM1AALOX15ALDH1A1TSHR

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-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed