SCHEMBL4282348

SCHEMBL4282348

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 7/20 0.39
PDE4A P27815 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL21625758 1.00 LMNA (0.40) LMNAL3MBTL1TSHRPDE4ATDP1
SCHEMBL1160696 0.92 TDP1 (0.46) LMNAL3MBTL1TSHRPDE4ATDP1
SCHEMBL4272239 0.92 TDP1 (0.46) LMNAL3MBTL1TSHRPDE4ATDP1
SCHEMBL924570 0.89 TSHR (0.40) LMNAL3MBTL1TSHRPDE4AALDH1A1
SCHEMBL28897374 0.85 LMNA (0.42) LMNAL3MBTL1PDE4ATDP1USP2
Acrylic Acid SCHEMBL2035082 0.84 LMNA (0.39) LMNATSHRPDE4AUSP2SLCO1B1
SCHEMBL11034657 0.82 LMNA (0.41) LMNAL3MBTL1TSHRPDE4ATDP1
SCHEMBL8965588 0.82 TSHR (0.39) LMNATSHRALDH1A1TP53HIF1A
SCHEMBL4267048 0.81 LMNA (0.34) LMNAL3MBTL1TSHRPDE4ATDP1
SCHEMBL4274417 0.81 LMNA (0.34) LMNAL3MBTL1TSHRPDE4ATDP1

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-20090294362-A1 STATIONARY PHASE FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2009-12-03 US claimed
US-20090294362-A1 STATIONARY PHASE FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2009-12-03 US disclosed