SCHEMBL8544600

SCHEMBL8544600

CC12CC3CC(C1)CC(CC(=O)CCl)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10532442 0.84 GAA (0.51) GAATSHRPOLBALDH1A1THRB
SCHEMBL503339 0.81 POLB (0.64) GAATSHRPOLBALDH1A1THRB
SCHEMBL7588383 0.81 POLB (0.64) GAATSHRPOLBALDH1A1THRB
Hydrochloric Acid SCHEMBL10532450 0.79 POLB (0.62) GAATSHRPOLBALDH1A1THRB
SCHEMBL17067654 0.78 ALDH1A1 (0.47) GAATSHRPOLBALDH1A1THRB
SCHEMBL12093414 0.73 ALDH1A1 (0.44) GAATSHRPOLBALDH1A1THRB
SCHEMBL1771507 0.72 ALDH1A1 (0.45) GAATSHRPOLBALDH1A1MEN1
SCHEMBL8801573 0.72 BPTF (0.46) GAATSHRPOLB
SCHEMBL11697772 0.72 GRIN2D (0.50) GAATSHRPOLBMEN1KMT2A
SCHEMBL8957686 0.71 ALDH1A1 (0.57) GAAPOLBALDH1A1THRBMEN1

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
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed