SCHEMBL14071885

SCHEMBL14071885

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ P2RX3 P56373 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ P2RY11 Q96G91 2/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ LGALS9 O00182 1/20 0.32
▸ LGALS1 P09382 1/20 0.32
▸ LGALS3 P17931 1/20 0.32
▸ LGALS7; LGALS7B P47929 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PTPN1 P18031 6/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ HRAS P01112 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
SCHEMBL12150462 0.93 CA1 (0.33) CA1CA2CA9P2RX3P2RX4
SCHEMBL12300354 0.85 CA1 (0.42) CA1CA2CA9P2RX3P2RX4
SCHEMBL14010400 0.85 LMNA (0.39) CA1CA2CA9P2RX3P2RX4
SCHEMBL12746702 0.82 CA1 (0.37) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150506 0.82 KMT2A (0.37) CA1CA2CA9P2RX3P2RX4
SCHEMBL16349579 0.82 KMT2A (0.38) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150509 0.80 POLB (0.44) CA1CA2CA9P2RX3P2RX4
SCHEMBL13530678 0.80 POLB (0.44) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150465 0.80 PTPN1 (0.41) CA1CA2CA9P2RX3P2RX4
SCHEMBL13633941 0.80 PTPN1 (0.41) CA1CA2CA9P2RX3P2RX4

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
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
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