SCHEMBL7414859

SCHEMBL7414859

CCCCCCCCCCS(=O)(=O)NC(CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA5A P35218 6/20 0.44
CA5B Q9Y2D0 6/20 0.44
CYP1A2 P05177 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL7413675 0.90 ALDH1A1 (0.54) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7416012 0.80 CA1 (0.52) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7411282 0.79 ALDH1A1 (0.47) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7420995 0.79 CA1 (0.51) ALDH1A1CYP2C19CA1CA2CA5A
SCHEMBL7411847 0.78 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7413360 0.78 CA1 (0.49) ALDH1A1CYP2C19CA1CA2CA5A
SCHEMBL7414910 0.77 CA1 (0.49) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7419003 0.77 ALDH1A1 (0.47) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7420030 0.77 CYP2C19 (0.48) ALDH1A1CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7416383 0.76 MEN1 (0.45) ALDH1A1CYP2C19CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed