SCHEMBL7209905

SCHEMBL7209905

COC(=O)C(NC(=O)OCc1ccccc1)[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ CYP3A4 P08684 12/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ TSHR P16473 7/20 0.39
▸ CYP2C9 P11712 5/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KYNU Q16719 1/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL7210929 0.92 ATM (0.40) ATMCYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL7215055 0.77 ATM (0.39) ATMCYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL22808138 0.73 ATM (0.42) ATMCYP3A4ALDH1A1TSHRCYP2C9
SCHEMBL7209268 0.71 CTSS (0.41) ATMCYP3A4ALDH1A1TSHR
SCHEMBL8815770 0.71 ALDH1A1 (0.56) CYP3A4ALDH1A1KMT2ALMNAMAPK1
SCHEMBL23042877 0.71 PDE1B (0.33) CYP3A4ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL1199066 0.71 KYNU (0.54) ATMALDH1A1ALOX15TRPM8KYNU
SCHEMBL1199068 0.71 KYNU (0.54) ATMALDH1A1ALOX15TRPM8KYNU
SCHEMBL15936883 0.71 KYNU (0.54) ATMALDH1A1ALOX15TRPM8KYNU
SCHEMBL2701065 0.69 KYNU (0.52) ATMALDH1A1ALOX15TRPM8KYNU

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
US-6617106-B1 Methods for preparing oligonucleotides containing non-standard nucleotides BENNER, STEVEN 2003-09-09 — — US disclosed
US-6140496-A Precursors for deoxyribonucleotides containing non-standard nucleosides BENNER, STEVEN 2000-10-31 — — US disclosed
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