SCHEMBL8866944

SCHEMBL8866944

O=C(O)C(CC(Cc1ccco1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PKM P14618 2/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL8528147 0.80 FDPS (0.46) PTPN1
SCHEMBL8531479 0.77 CYP2C19 (0.43) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL8527565 0.74 ACP3 (0.38) CYP2C19ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8527624 0.74 CYP2C19 (0.38) PKMPOLBPTPN1PTPN7BLM
SCHEMBL8532197 0.72 ANPEP (0.41)
SCHEMBL8528037 0.72 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1PTGS1PTGS2
SCHEMBL8868503 0.72 FDPS (0.52) GAA
SCHEMBL8533532 0.71 FDPS (0.51) PTPN1TSHR
SCHEMBL8528278 0.71 FOLH1 (0.41)
SCHEMBL8531881 0.70 SMN1; SMN2 (0.47) PKMPOLBBLMKMT2AL3MBTL1

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
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US disclosed