SCHEMBL22129657

SCHEMBL22129657

CC=CC(=O)OCCCCCCCC[SiH](OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 4/20 0.35
PRKCA P17252 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NAAA Q02083 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
SCHEMBL147607 0.94 ATM (0.47) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL15312340 0.87 ATM (0.41) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL27007152 0.86 HCAR2 (0.44) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL6657723 0.86 ATM (0.43) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL8754726 0.83 HCAR2 (0.53) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL16286693 0.83 TSHR (0.61) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL64876 0.83 ATM (0.50) HCAR2ATMTSHRALDH1A1MAPT
SCHEMBL16286758 0.83 TSHR (0.61) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL6150923 0.82 ATM (0.44) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL3627473 0.81 ATM (0.58) HCAR2ATMTSHRALDH1A1MAPT

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
WO-2020129902-A1 PHOTOCURABLE COMPOSITION FOR IMPRINTING 日産化学株式会社 2020-06-25 WO disclosed