SCHEMBL7703088

SCHEMBL7703088

C[C@H]1O[C@@H](OCc2ccccc2)C[C@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.38
SLC6A2 P23975 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FUCA1 P04066 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDPK1 O15530 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL7703093 1.00 PDE4D (0.41) PDE4DALDH1A1RECQLPOLBBCHE
SCHEMBL7703090 1.00 PDE4D (0.41) PDE4DALDH1A1RECQLPOLBBCHE
SCHEMBL7703752 0.81 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL7703749 0.81 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL7703756 0.81 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL6451124 0.81 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL7703702 0.80 PDE4D (0.43) PDE4DALDH1A1RECQLBCHESLC6A2
SCHEMBL7703704 0.80 PDE4D (0.43) PDE4DALDH1A1RECQLBCHESLC6A2
SCHEMBL7703707 0.80 PDE4D (0.43) PDE4DALDH1A1RECQLBCHESLC6A2
SCHEMBL7909402 0.79 PDE4D (0.42) PDE4DALDH1A1RECQLBCHESLC6A2

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-6353095-B1 OCTULSONIC ACID AND DERIVATIVES WITH AZO AND AMIDE THE SCRIPPS RESEARCH INSTITUTE 2002-03-05 US disclosed
WO-1993006227-A1 KETOALDONIC ACIDS HAVING FORMED STEREOGENIC CENTERS OF R CONFIGURATION: METHODS AND COMPOSITIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1993-04-01 WO disclosed