SCHEMBL7703702

SCHEMBL7703702

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.43
SLC6A2 P23975 1/20 0.37
BCHE P06276 1/20 0.36
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GJB2 P29033 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
RECQL P46063 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL7703704 1.00 PDE4D (0.43) PDE4DSLC6A2BCHEKDM4EKMT2A
SCHEMBL7703707 1.00 PDE4D (0.43) PDE4DSLC6A2BCHEKDM4EKMT2A
SCHEMBL7703752 0.87 PDE4D (0.52) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL6451124 0.87 PDE4D (0.52) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL7703756 0.87 PDE4D (0.52) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL7703749 0.87 PDE4D (0.52) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL9856549 0.82 MAN1B1 (0.44) PDE4DKDM4EKMT2AALDH1A1RECQL
SCHEMBL9856460 0.81 PDE4D (0.39) PDE4DSLC6A2BCHEKMT2AALDH1A1
SCHEMBL7703088 0.80 PDE4D (0.41) PDE4DSLC6A2BCHEKDM4EKMT2A
SCHEMBL7703090 0.80 PDE4D (0.41) PDE4DSLC6A2BCHEKDM4EKMT2A

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