SCHEMBL5007579

SCHEMBL5007579

C[CH]COC(=O)C(C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1218428 0.80
SCHEMBL13291369 0.79 TDP1 (0.46) TSHRSMN1; SMN2
SCHEMBL4736552 0.74 TSHR (0.30) TSHR
SCHEMBL17212387 0.74 SMN1; SMN2 (0.35) TSHRCA12CA14SMN1; SMN2
SCHEMBL765721 0.72 ALDH1A1 (0.48)
SCHEMBL15034672 0.72 ALDH1A1 (0.48)
SCHEMBL764895 0.72 ALDH1A1 (0.48)
SCHEMBL4736460 0.71 MMP1 (0.31)
SCHEMBL5009666 0.71 SMN1; SMN2 (0.40) TSHRSMN1; SMN2
SCHEMBL4740857 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984002-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2007090750-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed