SCHEMBL11034657

SCHEMBL11034657

C=CC(=O)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
TSHR P16473 5/20 0.35
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL26391494 0.86 TSHR (0.44) LMNAL3MBTL1PDE4ATDP1USP2
E968 SCHEMBL29089122 0.85 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1160696 0.83 TDP1 (0.46) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4272239 0.83 TDP1 (0.46) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4282348 0.82 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL21625758 0.82 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL16606863 0.82 PDE4A (0.46) LMNAPDE4ATSHRALDH1A1TP53
SCHEMBL27695890 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4271811 0.79 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4269101 0.79 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779686-B2 Coating for medical devices PHENOX GMBH (DE) 2023-10-10 US disclosed
US-4542137-A NONEXPLOSIVE, CARDIOVASCULAR DR. WILLMAR SCHWABE GMBH & CO. (DE) 1985-09-17 US disclosed
US-4535158-A CHEMICXAL INTERMEDIATES FOR CARDIOTONIC AGENTS DR. WILLMAR SCHWABE GMBH & CO. 1985-08-13 US disclosed
US-4413122-A Optionally N-substituted aminodesoxy-1.4;3.6-dianhydrohexitol derivatives FA. WILMAR SCHWABE GMBH & CO. (DE) 1983-11-01 US disclosed
US-4363805-A TREATMENT OF CORONARY DISEASE FIRMA WILLMAR SCHWABE (DE) 1982-12-14 US disclosed