SCHEMBL8018709

SCHEMBL8018709

CC=CC(=O)OCCC[Si](Cl)(Cl)OCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 5/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
APP P05067 5/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GSTP1 P09211 1/20 0.30

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
SCHEMBL1224158 0.88 ATM (0.44) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7597935 0.84 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL37109 0.84 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7878186 0.84 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL907160 0.84 ATM (0.43) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL63718 0.83 ATM (0.46) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL65272 0.83 ATM (0.46) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7734220 0.83 ATM (0.46) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL476607 0.82 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL1261771 0.81 ATM (0.44) ATMHCAR2MAPTRAB9ANPSR1

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-0969789-A2 DENTAL MATERIALS HAVING A NANOSCALE FILLER DENTSPLY INTERNATIONAL, INC. (US) 2000-01-12 EP disclosed
WO-1999017716-A2 DENTAL MATERIALS HAVING A NANOSCALE FILLER DENTSPLY INTERNATIONAL INC. (US) 1999-04-15 WO disclosed