SCHEMBL7209268

SCHEMBL7209268

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 14/20 0.41
▸ CTSL P07711 13/20 0.41
▸ CTSB P07858 7/20 0.41
▸ CTSK P43235 7/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TACR1 P25103 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL7215055 0.85 ATM (0.39) CTSSCTSLCTSBATMALDH1A1
SCHEMBL7209902 0.77 CTSS (0.43) CTSSCTSLCTSBCTSKATM
SCHEMBL7209905 0.71 ATM (0.40) ATMALDH1A1CYP3A4TSHR
SCHEMBL7210929 0.71 ATM (0.40) CTSSCTSLCTSBATMALDH1A1
SCHEMBL7209504 0.70 TACR1 (0.45) CTSSCTSLCTSBCTSKATM
SCHEMBL6359630 0.68 CTSL (0.41) CTSSCTSLCTSBATMALDH1A1
SCHEMBL7209522 0.68 L3MBTL1 (0.33) —
SCHEMBL27450139 0.68 TACR1 (0.53) CTSSCTSLCTSBCTSKTACR1
SCHEMBL498416 0.67 SYK (0.58) CTSSCTSLCTSBCTSKTACR1
SCHEMBL1610207 0.66 CTSS (0.59) CTSSCTSLCTSBCTSKTACR1

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
Send feedback