SCHEMBL7606084

SCHEMBL7606084

CC(c1ccccn1)P(=O)(O)OC(CCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.42
KMO O15229 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 2/20 0.38
GGH Q92820 1/20 0.37
CPA3 P15088 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5051274 0.82 FOLH1 (0.44) FOLH1ALDH1A1TSHRCYP2C19CYP1A2
SCHEMBL7609517 0.79 GRM8 (0.40) FOLH1ALDH1A1LMNAGGH
SCHEMBL5059771 0.78 TBXAS1 (0.45) FOLH1KDM4ECYP2C19
SCHEMBL7605889 0.78 GGH (0.43) FOLH1ALDH1A1TSHRCYP2C19CYP1A2
SCHEMBL1377622 0.76 ALDH1A1 (0.43) FOLH1ALDH1A1CYP2C19LMNARAB9A
SCHEMBL5054191 0.75 PPARG (0.44) FOLH1CYP1A2
SCHEMBL5054577 0.75 ACP3 (0.42) FOLH1CYP2C19
SCHEMBL7609362 0.74 FOLH1 (0.47) FOLH1CPA3MEN1KMT2ASMN1; SMN2
SCHEMBL7606078 0.74 SMN1; SMN2 (0.41) FOLH1ALDH1A1CYP2C19RAB9ACYP1A2
SCHEMBL5057554 0.74 HDAC3 (0.45) KDM4EMEN1GAAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514185-A 2002-05-14 JP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed