SCHEMBL8545984

SCHEMBL8545984

CC(O[Si](C)(C)C(C)(C)C)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.38
KIF11 P52732 1/20 0.37
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP11B1 P15538 1/20 0.34
TSHR P16473 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
NR3C1 P04150 1/20 0.33
HSD11B1 P28845 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ENPP2 Q13822 1/20 0.32
ABCC9 O60706 1/20 0.32
KCNJ11 Q14654 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
SCHEMBL1226792 0.78 CYP19A1 (0.34) CYP19A1KIF11CYP2A6ALDH1A1CYP3A4
SCHEMBL1226980 0.78 CYP19A1 (0.34) CYP19A1KIF11CYP2A6ALDH1A1CYP3A4
SCHEMBL7196103 0.77 APLNR (0.31)
SCHEMBL21556841 0.77 APLNR (0.31)
SCHEMBL408604 0.77 APLNR (0.42) ALDH1A1CYP3A4
SCHEMBL26125646 0.77 NPC1 (0.33) ALDH1A1
SCHEMBL31042359 0.77 APLNR (0.42) ALDH1A1CYP3A4
SCHEMBL26125642 0.77 NPC1 (0.33) ALDH1A1
SCHEMBL31073192 0.77 APLNR (0.42) ALDH1A1CYP3A4
SCHEMBL730392 0.77 PRSS1 (0.38) CYP19A1ALDH1A1TSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed