Sugi Predict

Sugi Predict / Compounds / SCHEMBL4599389

SCHEMBL4599389

SCHEMBL4599389

C=CCCCOC(=O)[N]C1(C)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL12694809 0.77 NR1H2 (0.34) NR1H2NR1H3ALDH1A1L3MBTL1
SCHEMBL4599392 0.73 NR1H2 (0.36) NR1H2NR1H3ALDH1A1LMNAL3MBTL1
SCHEMBL4526003 0.69 HRH3 (0.34) NR1H2NR1H3ALDH1A1LMNAL3MBTL1
SCHEMBL2838452 0.66 — —
SCHEMBL9246275 0.65 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HPGDTSHR
SCHEMBL766967 0.65 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HPGDTSHR
SCHEMBL4778227 0.64 ALDH1A1 (0.32) ALDH1A1L3MBTL1TSHR
SCHEMBL28174713 0.64 ALDH1A1 (0.37) ALDH1A1LMNAL3MBTL1HPGDTSHR
SCHEMBL23797510 0.64 ATM (0.58) ALDH1A1LMNAL3MBTL1HPGDTSHR
SCHEMBL44778 0.64 — —

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
EP-1910404-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 — — EP disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 — — WO disclosed