SCHEMBL8524243

SCHEMBL8524243

NC(=O)OCC(O)C(O)C(O)C(O)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
PDE4A P27815 1/20 0.43
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MGAM O43451 2/20 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
SCHEMBL15720392 0.96 LMNA (0.46) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL24565178 0.94 USP2 (0.42) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL30530672 0.79 ALOX15 (0.39) LMNACYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL8677620 0.79 TDP1 (0.50) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL8677624 0.79 TDP1 (0.50) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL8469643 0.79 MPI (0.35) LMNACYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL7170688 0.78 PDE4A (0.52) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL1403805 0.78 PDE4A (0.52) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL3810811 0.78 PDE4A (0.52) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL3705601 0.78 LMNA (0.44) TDP1LMNAL3MBTL1USP2SLCO1B1

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
EP-0772617-B1 7-O-CARBAMOYL HEPTOSE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AND SCREENING PROCESS FOR THEIR DETECTION FORSCH BORSTEL INST FUER EXPER (DE) 1999-06-23 EP disclosed
US-5798343-A TREATING GRAM-NEGATIVE BACTERIA WITH HYDROFLUORIC ACID, HYDROLYZING OR METHOLYZING, PERMETHYLATING FORSCHUNGSINSTITUT BORSTEL INSTITUT FUR EXPERIMENTELLE BIOLOGIE UND MEDIZIN (DE) 1998-08-25 US disclosed