SCHEMBL7361919

SCHEMBL7361919

Cc1ccc(S(=O)(=O)Sc2cc3c(cc2C(C)(C)C)NCC3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.33
DNMT1 P26358 1/20 0.32

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
SCHEMBL7356234 0.77 EPHX2 (0.30)
SCHEMBL6369974 0.73 DNMT1 (0.38) DNMT1
SCHEMBL7638882 0.72 DNMT1 (0.36) DNMT1
SCHEMBL6298266 0.70 GPR119 (0.42)
SCHEMBL8008454 0.69 DNMT1 (0.36) DNMT1
SCHEMBL7363568 0.69 NR4A2 (0.40) DNMT1
SCHEMBL7357650 0.68 EPHX2 (0.37)
SCHEMBL6303825 0.67 NR1H2 (0.35) DNMT1
SCHEMBL1161006 0.67 EPHX2 (0.38) CASP3
SCHEMBL8008611 0.67 DNMT1 (0.45) DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed