SCHEMBL16237751

SCHEMBL16237751

CCOC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.48
TSHR P16473 1/20 0.46
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CDC25B P30305 3/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL25245488 0.87 TSHR (0.39) UCHL1TSHRLMNAMAPTHSD17B10
SCHEMBL12215764 0.85 TSHR (0.50) UCHL1TSHRMAPTHSD17B10ALDH1A1
SCHEMBL11662 0.85 TSHR (0.57) UCHL1TSHRLMNAMAPTHSD17B10
SCHEMBL29453753 0.85 TSHR (0.57) UCHL1TSHRLMNAMAPTHSD17B10
SCHEMBL12215759 0.83 TSHR (0.47) UCHL1TSHRLMNAMAPTHSD17B10
SCHEMBL16454773 0.82 IDO1 (0.35) UCHL1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL29518411 0.82 TSHR (0.46) UCHL1TSHRMAPTHSD17B10ALDH1A1
SCHEMBL24378834 0.82 TSHR (0.46) UCHL1TSHRMAPTHSD17B10ALDH1A1
SCHEMBL23773427 0.79 TSHR (0.68) TSHRLMNAMAPTHSD17B10ALDH1A1
Benzoic Acid SCHEMBL22719459 0.79 TSHR (0.49) UCHL1TSHRLMNAMAPTHSD17B10

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-2014186704-A2 NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS N30 PHARMACEUTICALS, INC. (US) 2014-11-20 WO disclosed