SCHEMBL8890531

SCHEMBL8890531

CCCC[Si](C)(C)OCc1c[nH]c(-c2ccc([N+](=O)[O-])cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.40
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 4/20 0.34
S1PR4 O95977 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KDM4E B2RXH2 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
NPBWR1 P48145 1/20 0.32
CYP19A1 P11511 2/20 0.31
KCNJ1 P48048 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
CNR2 P34972 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
SCHEMBL6999207 0.73 AMY1A (0.48) AMY1ARAB9ASMN1; SMN2S1PR4KDM4E
SCHEMBL8822124 0.72 TLR2 (0.36) POLBS1PR4CYP19A1CNR1ACHE
SCHEMBL8822128 0.71 AMY1A (0.46) AMY1APOLBRAB9AS1PR4F7
SCHEMBL9549749 0.70 IDO1 (0.49) POLBRAB9ASMN1; SMN2
SCHEMBL30599160 0.70 ALDH1A1 (0.41) POLBHPGDRAB9ASMN1; SMN2RIPK1
SCHEMBL1923172 0.65 ALDH1A1 (0.37) POLBHPGDRAB9ASMN1; SMN2RIPK1
SCHEMBL8540776 0.64 AMY1A (0.48) AMY1ARAB9AS1PR4KDM4ENPBWR1
SCHEMBL31463535 0.64 AMY1A (0.48) AMY1ARAB9AS1PR4KDM4ENPBWR1
SCHEMBL7435141 0.64 ALDH1A1 (0.33) POLBHPGDRAB9ASMN1; SMN2RIPK1
SCHEMBL31345017 0.63 S1PR4 (0.40) AMY1ASMN1; SMN2S1PR4KCNJ1

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-1997031917-A1 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1997-09-04 WO disclosed