SCHEMBL9292986

SCHEMBL9292986

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CTSK P43235 7/20 0.43
CTSS P25774 4/20 0.42
ATM Q13315 1/20 0.38
AKT1 P31749 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL9293123 0.83 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL3782920 0.83 CTSK (0.45) MAPTCTSKCTSSATMAKT1
SCHEMBL7218496 0.83 CTSK (0.45) MAPTCTSKCTSSATMAKT1
SCHEMBL9293004 0.83 CTSK (0.45) MAPTCTSKCTSSATMAKT1
SCHEMBL8529886 0.83 CTSK (0.45) MAPTCTSKCTSSATMAKT1
SCHEMBL6874599 0.83 KLK5 (0.48) CTSKCTSSATMAKT1CTSL
SCHEMBL10463737 0.81 CTSK (0.43) MAPTCTSKCTSSATMCTSL
SCHEMBL8911849 0.81 CTSK (0.43) MAPTCTSKCTSSATMAKT1
SCHEMBL8911855 0.79 CTSK (0.41) MAPTCTSKCTSSATMALDH1A1
SCHEMBL8529888 0.78 CTSK (0.44) MAPTCTSKCTSSATMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292921-A Process for the enantioselective preparation of phenylisoserine derivatives RHONE-POULENC RORER S.A. (FR) 1994-03-08 US disclosed
US-5290957-A Process for the stereoselective preparation of phenylisoserine derivatives used in making taxols RHONE POULENC RORER S.A. (FR) 1994-03-01 US disclosed