SCHEMBL6259673

SCHEMBL6259673

CCCCCCCCCCCC1(CCCC(=O)OC)OCC(C)(C)N1[O]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.40
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 1/20 0.35
PRKCA P17252 4/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL2029724 1.00 POLA1 (0.40) POLA1CA12CA2CA7CA9
SCHEMBL21236216 0.87 POLA1 (0.37) POLA1CA12CA2CA7CA9
SCHEMBL6259675 0.87 POLA1 (0.37) POLA1CA12CA2CA7CA9
SCHEMBL6258743 0.85
SCHEMBL6569409 0.85
SCHEMBL8676154 0.83 GPR84 (0.47) TSHRPOLB
SCHEMBL6237483 0.83 GPR84 (0.47) TSHRPOLB
SCHEMBL2319316 0.73 GPR84 (0.37) TSHR
SCHEMBL12192693 0.71 POLB (0.44) POLA1CA12CA2CA7CA9
SCHEMBL6238832 0.70

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-2005003759-A1 A METHOD FOR ANALYSIS OF A BEVERAGE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-01-13 WO disclosed