SCHEMBL4759700

SCHEMBL4759700

CC(C)[C@]1(C)CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
SLC6A4 P31645 2/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
LMNA P02545 2/20 0.32
OPRK1 P41145 1/20 0.32
OPRM1 P35372 1/20 0.32
CACNA1C Q13936 1/20 0.32
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
SCHEMBL9663044 1.00 ALDH1A1 (0.35) ALDH1A1POLBGRIN1GRIN2ASLC6A4
SCHEMBL8624879 0.79 ALDH1A1 (0.33) ALDH1A1POLBGRIN1GRIN2ASLC6A4
SCHEMBL7495354 0.78 ALDH1A1 (0.34) ALDH1A1POLBTSHR
SCHEMBL11342163 0.74 CDC25A (0.34) ALDH1A1
SCHEMBL18972428 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8622849 0.71
SCHEMBL11457549 0.71 GRIN1 (0.34) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL104646 0.70
SCHEMBL23596012 0.70 SLC6A4 (0.33) ALDH1A1POLBGRIN1GRIN2ASLC6A4
SCHEMBL2691988 0.69 TRIM24 (0.36) ALDH1A1POLBGRIN1GRIN2ASLC6A4

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-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO disclosed