SCHEMBL7995586

SCHEMBL7995586

CC(C)(C)OC(=O)NC(Sc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.54
▸ CTSS P25774 4/20 0.54
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ GABRB1 P18505 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PPARG P37231 3/20 0.45
▸ PPARA Q07869 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PPARD Q03181 2/20 0.43

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
SCHEMBL7943806 0.83 CTSS (0.49) CTSKCTSSCTSLCTSBMMP13
SCHEMBL6609045 0.80 CTSK (0.55) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL1193789 0.80 CTSK (0.55) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL1194009 0.80 CTSK (0.55) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL8910232 0.79 CTSS (0.46) CTSKCTSSCTSLCTSBMMP13
SCHEMBL9404277 0.79 CTSS (0.46) CTSKCTSSCTSLCTSBMMP13
SCHEMBL7747398 0.79 CTSS (0.46) CTSKCTSSCTSLCTSBMMP13
SCHEMBL14820895 0.79 CTSK (0.57) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL7747410 0.78 PPARA (0.45) CTSKCTSSCTSLCTSBMMP13
SCHEMBL7748907 0.78 PPARA (0.45) CTSKCTSSCTSLCTSBMMP13

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-6114550-A Method for the stereo-selective preparation of a derivative of β-phenyl-isoserine and its use in the preparation of taxane derivatives RHONE-POULENC RORER S.A. (FR) 2000-09-05 — — US disclosed
US-5726346-A Process for the stereoselective preparation of a β-phenylisoserine derivative and its use for the preparation of taxane derivatives RHONE-POULENC RORER S.A. (FR) 1998-03-10 — — US disclosed
EP-0663901-B1 METHOD FOR THE STEREOSELECTIVE PREPARATION OF A DERIVATIVE OF BETA-PHENYLISOSERINE AND ITS USE IN THE PREPARATION OF TAXANE DERIVATIVES RHONE POULENC RORER SA (FR) 1997-03-19 — — EP disclosed
EP-0663901-A1 METHOD FOR THE STEREOSELECTIVE PREPARATION OF A DERIVATIVE OF -g(b)-PHENYLISOSERINE AND ITS USE IN THE PREPARATION OF TAXANE DERIVATIVES. RHONE POULENC RORER SA (FR) 1995-07-26 — — EP disclosed
WO-1994007847-A1 METHOD FOR THE STEREOSELECTIVE PREPARATION OF A DERIVATIVE OF β-PHENYLISOSERINE AND ITS USE IN THE PREPARATION OF TAXANE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1994-04-14 — — WO disclosed
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