SCHEMBL7210929

SCHEMBL7210929

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2C(NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ CYP3A4 P08684 11/20 0.37
▸ TSHR P16473 7/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CYP2C9 P11712 6/20 0.35
▸ CYP2C19 P33261 5/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7209905 0.92 ATM (0.40) ATMALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL7215055 0.85 ATM (0.39) ATMALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL22808138 0.72 ATM (0.42) ATMALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL30801699 0.71 CTSL (0.49) ATMALDH1A1CTSBCTSLCTSS
SCHEMBL7209268 0.71 CTSS (0.41) ATMALDH1A1CYP3A4TSHRCTSB
SCHEMBL8815770 0.71 ALDH1A1 (0.56) ALDH1A1CYP3A4LMNAKMT2AMAPK1
SCHEMBL23042877 0.70 PDE1B (0.33) ALDH1A1CYP3A4TSHRSMN1; SMN2MAPK1
SCHEMBL10504264 0.69 CYP3A4 (0.45) ATMALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL8857439 0.68 ATM (0.55) ATMSYKCTSBCTSLCTSS
SCHEMBL8857090 0.68 ATM (0.55) ATMSYKCTSBCTSLCTSS

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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