SCHEMBL6230849

SCHEMBL6230849

Cc1cc(=O)oc2cc(C(=O)CN(CC(=O)O)C(=O)OC(C)(C)C)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
AR P10275 2/20 0.45
ALDH1A1 P00352 13/20 0.44
KDM4E B2RXH2 11/20 0.44
GLA P06280 7/20 0.44
GAA P10253 6/20 0.44
MAPT P10636 2/20 0.43
NPBWR1 P48145 1/20 0.43
HPGD P15428 10/20 0.43
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 7/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL31025577 0.71 ALDH1A1 (0.61) CA12CA9CA1KMT2AMEN1
SCHEMBL28932900 0.71 ALDH1A1 (0.61) CA12CA9CA1KMT2AMEN1
SCHEMBL17885121 0.71 ALDH1A1 (0.63) CA12CA9CA1KMT2AMEN1
SCHEMBL20974387 0.71 LMNA (0.39) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL12618036 0.69 AR (0.61) CA12CA9CA1KMT2AMEN1
SCHEMBL31693361 0.68 ALDH1A1 (0.62) CA12CA9CA1KMT2AMEN1
SCHEMBL27587553 0.68 KDM4E (0.59) CA12CA9CA1KMT2AMEN1
SCHEMBL78691 0.68 CA14 (0.41) KMT2AMEN1KDM4EGAAHSD17B10
SCHEMBL483004 0.67 KDM4E (0.61) CA12CA9CA1KMT2AMEN1
SCHEMBL29403594 0.67 KDM4E (0.61) CA12CA9CA1KMT2AMEN1

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
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed