SCHEMBL20040523

SCHEMBL20040523

C/C=C\[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ DUT P33316 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ DNMT1 P26358 3/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL2507608 0.86 ALDH1A1 (0.36) TDP1LMNAUSP2DUTALDH1A1
SCHEMBL2507611 0.86 ALDH1A1 (0.36) TDP1LMNAUSP2DUTALDH1A1
SCHEMBL15320020 0.86 ALDH1A1 (0.36) TDP1LMNAUSP2DUTALDH1A1
SCHEMBL2511659 0.82 CDC25A (0.34) ALDH1A1
SCHEMBL2321882 0.82 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL2511661 0.82 CDC25A (0.34) ALDH1A1
SCHEMBL2511662 0.82 CDC25A (0.34) ALDH1A1
SCHEMBL2510637 0.82 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL2511664 0.82 CDC25A (0.34) ALDH1A1
SCHEMBL2321878 0.82 ALDH1A1 (0.34) ALDH1A1MAPT

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-2534140-B1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-04-11 — — EP disclosed
Send feedback