SCHEMBL7263678

SCHEMBL7263678

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.55
▸ CTSK P43235 4/20 0.55
▸ CTSL P07711 2/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CAPN1 P07384 1/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ FOLH1 Q04609 3/20 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
SCHEMBL9540730 0.91 CTSS (0.61) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9540722 0.91 CTSS (0.61) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL629960 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL627379 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL2159319 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL1951088 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL905289 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL3205842 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL3825684 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1
SCHEMBL16710011 0.89 CTSS (0.67) CTSSCTSKKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003101449-A2 PROCESS FOR THE PREPARATION OF 3,3,4,4-TETRAFLUOROPYRROLIDINE AND DERIVATIVES THEREOF PFIZER PRODUCTS INC. (US) 2003-12-11 — — WO disclosed
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