SCHEMBL12300349

SCHEMBL12300349

COC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ EIF4E P06730 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TOP1 P11387 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GAPDH P04406 2/20 0.43
▸ P2RX3 P56373 1/20 0.42

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
SCHEMBL12151509 0.92 LMNA (0.45) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL6912407 0.90 LMNA (0.47) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL12300734 0.90 LMNA (0.48) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL6912924 0.89 LMNA (0.57) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL6912376 0.88 LMNA (0.48) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL12300344 0.87 LMNA (0.45) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL7961312 0.85 GAPDH (0.45) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL12300346 0.85 LMNA (0.43) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL12150476 0.84 LMNA (0.54) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL7042701 0.84 MEN1 (0.59) LMNASMN1; SMN2ALDH1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
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