SCHEMBL6206953

SCHEMBL6206953

CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O)OC2=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
GAA P10253 3/20 0.59
ALOX12 P18054 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PTBP1 P26599 1/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL223631 1.00 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL5575317 1.00 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL3192032 1.00 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL98457 1.00 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL17816948 0.85 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL15143001 0.85 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL4124556 0.85 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL6479731 0.85 POLB (0.59) POLBGAAALOX12KMT2AMEN1
SCHEMBL7158782 0.83 POLB (0.58) POLBGAAALOX12KMT2AMEN1
SCHEMBL6714428 0.83 POLB (0.58) POLBGAAALOX12KMT2AMEN1

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-1603901-A1 TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-12-14 EP disclosed
WO-2004078750-A1 TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-09-16 WO disclosed