SCHEMBL8501492

SCHEMBL8501492

C=CC(O)c1cc(OCCCO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SIRT5 Q9NXA8 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL12594358 0.87 MAPT (0.40) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL14218374 0.84 MAPT (0.50) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL15215733 0.82 L3MBTL1 (0.38) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8500377 0.81 MAPT (0.39) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8500394 0.81 MAPT (0.41) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL15215734 0.79 MAPT (0.38) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL5960188 0.77 CA12 (0.49) MAPTLMNAMEN1KMT2ASIRT5
SCHEMBL15038556 0.77 MAPT (0.43) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL15015577 0.76 MAPT (0.35) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8499790 0.76 MAPT (0.39) MAPTALDH1A1LMNAKDM4ESMN1; SMN2

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
EP-0757049-B1 Camptothecin derivatives TANABE SEIYAKU CO (JP) 1999-03-24 EP disclosed
US-5837673-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1998-11-17 US disclosed
EP-0757049-A1 Camptothecin derivatives TANABE SEIYAKU CO., LTD. (JP) 1997-02-05 EP disclosed