Sugi Predict

Sugi Predict / Compounds / SCHEMBL13256192

SCHEMBL13256192

SCHEMBL13256192

CCCCOCC1CCC(C#N)(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ DPP4 P27487 2/20 0.36
▸ CTSK P43235 7/20 0.36
▸ CTSS P25774 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL15928599 0.89 CTSL (0.39) CTSLDPP4CTSKCTSSALDH1A1
SCHEMBL2394821 0.76 CTSL (0.59) CTSLCTSKCTSSKMT2A
SCHEMBL10144371 0.76 DPP4 (0.34) DPP4
SCHEMBL15928425 0.74 KMT2A (0.36) CTSKALDH1A1KMT2ACACNA1BEPHX2
SCHEMBL1586413 0.74 CTSL (0.53) CTSLCTSKCTSSKMT2A
SCHEMBL15928448 0.73 KMT2A (0.35) CTSKALDH1A1KMT2ACACNA1BEPHX2
SCHEMBL26938697 0.72 DRD2 (0.42) CTSKALDH1A1KMT2A
SCHEMBL15928671 0.72 EPHX2 (0.36) CTSKCTSSALDH1A1KMT2AEPHX2
SCHEMBL17518905 0.72 EPHX2 (0.36) CTSKCTSSALDH1A1KMT2AEPHX2
SCHEMBL26938695 0.72 DRD2 (0.42) CTSKALDH1A1KMT2A

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-2010088167-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-08-05 — — WO disclosed