SCHEMBL13524826

SCHEMBL13524826

Cc1cc(F)ccc1-c1c(/C=C/[C@@H](O)C[C@@H]2C[C@@H](O)CC(=O)O2)c(C2CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ HMGCR P04035 11/20 0.49
▸ RXRA P19793 2/20 0.49

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
SCHEMBL13847325 0.85 HMGCR (0.66) HMGCR
SCHEMBL13847624 0.78 HMGCR (0.66) HMGCR
SCHEMBL247234 0.72 HMGCR (0.74) HMGCRRXRA
SCHEMBL247233 0.72 HMGCR (0.74) HMGCRRXRA
SCHEMBL7481306 0.72 HMGCR (0.74) HMGCRRXRA
SCHEMBL7481310 0.72 HMGCR (0.74) HMGCRRXRA
SCHEMBL9301248 0.72 HMGCR (0.74) HMGCRRXRA
SCHEMBL13994086 0.71 HMGCR (0.61) HMGCR
SCHEMBL9031227 0.69 NR4A2 (0.81) NR1I2NR4A2PDE4DHMGCRRXRA
SCHEMBL14262699 0.69 NR4A2 (0.81) NR1I2NR4A2PDE4DHMGCRRXRA

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-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
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