SCHEMBL6555636

SCHEMBL6555636

C[C@@H](C(=O)OP(N)(=O)O)N(OCc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CETP P11597 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ELANE P08246 1/20 0.36
FOLH1 Q04609 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LAP3 P28838 1/20 0.35
ALOX5 P09917 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
SCHEMBL29371149 0.90 ALDH1A1 (0.40) ALDH1A1TSHRCETPMAPTHPGD
SCHEMBL472178 0.88 ALDH1A1 (0.38) ALDH1A1TSHRCETPMAPTHPGD
SCHEMBL20162506 0.88 ALDH1A1 (0.38) ALDH1A1TSHRCETPMAPTHPGD
SCHEMBL7208532 0.84 LAP3 (0.38) ALDH1A1TSHRLAP3
SCHEMBL6553514 0.83 LAP3 (0.36) ALDH1A1LMNAKDM4ELAP3
SCHEMBL29794309 0.82 POLB (0.43) ALDH1A1TSHRMAPTHPGDKDM4E
SCHEMBL7212934 0.82 KDM4E (0.38) ALDH1A1LMNAL3MBTL1KDM4ELAP3
SCHEMBL20162498 0.81 POLB (0.42) ALDH1A1MAPTHPGDKDM4E
Phosphoric Acid SCHEMBL28251406 0.81 ALDH1A1 (0.41) ALDH1A1TSHRCETPMAPTHPGD
SCHEMBL8846449 0.80 LTA4H (0.44) ALDH1A1TSHRMAPTHPGDLMNA

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-1235833-B1 ANALOGS OF (1S, CIS)-4-(2-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL GLAXO GROUP LTD (GB) 2004-02-25 EP claimed
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed