SCHEMBL4293165

SCHEMBL4293165

CCCCCCC(=O)Oc1ccc2ccc(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.63
CA9 Q16790 6/20 0.63
CA1 P00915 4/20 0.63
CA6 P23280 4/20 0.63
CA7 P43166 4/20 0.63
CA14 Q9ULX7 4/20 0.63
CA5B Q9Y2D0 3/20 0.63
CA4 P22748 3/20 0.63
CA2 P00918 2/20 0.63
CA3 P07451 2/20 0.63
KDM4E B2RXH2 6/20 0.60
GLA P06280 4/20 0.60
GAA P10253 4/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 2/20 0.60
HIF1A Q16665 1/20 0.60
CA5A P35218 3/20 0.56

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
SCHEMBL1095981 1.00 CA12 (0.63) CA12CA9CA1CA6CA7
SCHEMBL19831442 1.00 CA12 (0.63) CA12CA9CA1CA6CA7
SCHEMBL21043916 0.99 CA12 (0.64) CA12CA9CA1CA6CA7
SCHEMBL3469861 0.95 CA12 (0.66) CA12CA9CA1CA6CA7
SCHEMBL28061786 0.93 NDUFS8 (0.58) CA12CA9CA1CA6CA7
SCHEMBL3989449 0.89 KMT2A (0.67) CA12CA9CA1CA6CA7
SCHEMBL3470469 0.87 CA12 (0.54) CA12CA9CA1CA6CA7
SCHEMBL712741 0.87 NDUFS8 (0.57) CA12CA9CA1CA6CA7
SCHEMBL12081709 0.87 NDUFS8 (0.57) CA12CA9CA1CA6CA7
SCHEMBL28529405 0.87 NDUFS8 (0.57) CA12CA9CA1CA6CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090297495-A1 HYDROLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR IMPROVING PAPER STRENGTH VERENIUM CORPORATION 2009-12-03 US disclosed
EP-1869173-A2 HYDROLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR IMPROVING PAPER STRENGTH Verenium Corporation (US) 2007-12-26 EP disclosed
WO-2006096834-A2 HYDROLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR IMPROVING PAPER STRENGTH DIVERSA CORPORATION (US) 2006-09-14 WO disclosed