SCHEMBL13985606

SCHEMBL13985606

COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCP(C)(C)=O)C(=O)OC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 19/20 0.77
▸ IMPDH1 P20839 14/20 0.77
▸ ALDH1A1 P00352 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HPGD P15428 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ UGT2B7 P16662 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ HDAC3 O15379 2/20 0.69
▸ HDAC4 P56524 2/20 0.69
▸ HDAC1 Q13547 2/20 0.69
▸ HDAC7 Q8WUI4 2/20 0.69
▸ HDAC2 Q92769 2/20 0.69
▸ HDAC10 Q969S8 2/20 0.69
▸ HDAC11 Q96DB2 2/20 0.69
▸ HDAC8 Q9BY41 2/20 0.69
▸ HDAC6 Q9UBN7 2/20 0.69

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
SCHEMBL12300653 0.91 IMPDH2 (0.75) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL14072054 0.90 IMPDH2 (0.81) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL18538602 0.89 IMPDH2 (0.85) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL14749220 0.89 IMPDH2 (0.83) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL29463203 0.87 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1152477 0.87 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1375645 0.87 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL12300659 0.86 IMPDH2 (0.85) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL24420499 0.86 IMPDH2 (0.86) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL18542936 0.85 IMPDH2 (0.85) IMPDH2IMPDH1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 — — US disclosed
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