SCHEMBL8979643

SCHEMBL8979643

CC(=O)OC(=O)CC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
FFAR3 O14843 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
FOLH1 Q04609 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
SCHEMBL8219158 0.90 TDP1 (0.46) TDP1ALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL499437 0.87 TDP1 (0.70) TDP1TSHRSMN1; SMN2LMNASLC22A6
SCHEMBL5495547 0.78 TDP1 (0.64) TDP1ALOX15TSHRSMN1; SMN2SLC22A6
SCHEMBL386700 0.78 ALOX15 (0.39) TDP1ALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL16925719 0.76 TDP1 (1.00) TDP1TSHRSMN1; SMN2LMNASLC22A6
SCHEMBL22151 0.76 TDP1 (1.00) TDP1TSHRSMN1; SMN2LMNASLC22A6
SCHEMBL17517216 0.76 TDP1 (1.00) TDP1TSHRSMN1; SMN2LMNASLC22A6
SCHEMBL165643 0.76 TDP1 (1.00) TDP1TSHRSMN1; SMN2LMNASLC22A6
SCHEMBL27467413 0.76 TSHR (0.41) TDP1ALOX15ALDH1A1TSHRHSD17B10
SCHEMBL15249460 0.75 TDP1 (0.74) TDP1ALOX15ALDH1A1SMN1; SMN2LMNA

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-0499180-B1 Dental/medical composition for restorative/prosthetic purposes and its use DENTSPLY GMBH (DE) 1996-05-15 EP disclosed