SCHEMBL3971715

SCHEMBL3971715

CCOC(=O)C(O)(O)CCCC=Cc1c(-c2ccc(F)cc2)nc(NCS(C)(=O)=O)nc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
HMGCR P04035 5/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE6D O43924 1/20 0.37
NR1I2 O75469 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGS2 P35354 1/20 0.35

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
SCHEMBL1740055 0.89 HMGCR (0.41) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL1739610 0.88 ABCC3 (0.43) ABCC3ABCC4HMGCRHDAC1HDAC2
Zinc Ion SCHEMBL1741829 0.88 ABCC3 (0.42) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL2684321 0.88 ABCC3 (0.42) ABCC3ABCC4HMGCRHDAC1HDAC2
Tert-Butylamine SCHEMBL1739620 0.88 HMGCR (0.40) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL3968201 0.78 HMGCR (0.43) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL17965919 0.78 HMGCR (0.43) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL1740202 0.78 HMGCR (0.43) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL16401134 0.77 ABCC3 (0.53) ABCC3ABCC4HMGCRHDAC1HDAC2
SCHEMBL3305 0.77 ABCC3 (0.57) ABCC3ABCC4HMGCRHDAC1HDAC2

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
WO-2009047577-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2009-04-16 WO disclosed