SCHEMBL11035573

SCHEMBL11035573

C=CC(=O)CC(O)COCC(O)CC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4976459 0.86 USP2 (0.42) CA1CA2CA7TSHRALDH1A1
SCHEMBL8597422 0.83 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL16243868 0.81 TSHR (0.53) CA1CA2CA7TSHRALDH1A1
SCHEMBL27626009 0.78 TSHR (0.33) TSHRALDH1A1
SCHEMBL13230686 0.78 TSHR (0.44) CA1CA2CA7TSHRALDH1A1
SCHEMBL18561714 0.77 CA1 (0.38) CA1CA2CA7TSHRALDH1A1
SCHEMBL11035569 0.76
SCHEMBL1346255 0.76 LPAR5 (0.30)
SCHEMBL23361498 0.75 TSHR (0.52) TSHRALDH1A1
SCHEMBL30339412 0.75 TSHR (0.35) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146505-A2 Image formation process CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed