SCHEMBL8113753

SCHEMBL8113753

O=c1n(CCCCCCP(=O)(O)O)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.42
▸ TYMP P19971 3/20 0.41
▸ S1PR3 Q99500 3/20 0.37
▸ S1PR2 O95136 2/20 0.37
▸ S1PR4 O95977 2/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FAAH O00519 2/20 0.35
▸ HPRT1 P00492 1/20 0.34
▸ PNP P00491 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 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
SCHEMBL8113470 1.00 TBXAS1 (0.42) TBXAS1TYMPS1PR3S1PR2S1PR4
SCHEMBL8118310 1.00 TBXAS1 (0.42) TBXAS1TYMPS1PR3S1PR2S1PR4
SCHEMBL5720397 0.82 GSK3A (0.39) POLBRECQLSMN1; SMN2FAAHGSK3A
SCHEMBL8112684 0.82 RECQL (0.35) POLBRECQLSMN1; SMN2FAAHGSK3A
SCHEMBL5720115 0.82 PSEN1 (0.39) TBXAS1POLBRECQLSMN1; SMN2FAAH
SCHEMBL11124513 0.82 PTGIR (0.49) TBXAS1FAAHMAPT
SCHEMBL8111700 0.82 PTGIR (0.49) TBXAS1FAAHMAPT
SCHEMBL8104133 0.82 PTGIR (0.49) TBXAS1FAAHMAPT
SCHEMBL8103785 0.82 PTGIR (0.49) TBXAS1FAAHMAPT
Phosphoric Acid SCHEMBL8029423 0.81 FAAH (0.44) POLBRECQLSMN1; SMN2FAAHGSK3A

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
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP claimed
Send feedback