SCHEMBL7874033

SCHEMBL7874033

CC(C)[S+]([O-])N(C)c1cc(C(=O)OC(C)(C)C)cc(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1424585 0.81 KMT2A (0.34) CA12CA1CA2CA9CA14
SCHEMBL3469217 0.77 CA12 (0.34) CA12CA1CA2CA9CA14
SCHEMBL454678 0.76 ALDH1A1 (0.40) CA12CA1CA2CA9CA14
SCHEMBL1425447 0.70 ALDH1A1 (0.39) CA12CA1CA2CA9CA14
SCHEMBL30745045 0.70 TAS1R3 (0.36) CA12CA1CA2CA9CA14
SCHEMBL20943921 0.70 TAS1R3 (0.36) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL11456791 0.70 HRH4 (0.32) LMNA
SCHEMBL30260165 0.69 SLC7A5 (0.38) CA12CA1CA2CA9LMNA
SCHEMBL3227169 0.69 SLC7A5 (0.38) CA12CA1CA2CA9LMNA
SCHEMBL23684086 0.69 CA12 (0.38) CA12CA1CA2CA9CA14

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-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed