SCHEMBL8693115

SCHEMBL8693115

CC(C)(C)OC(=O)c1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
KDM4E B2RXH2 4/20 0.69
KMT2A Q03164 2/20 0.63
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
NR4A2 P43354 1/20 0.53
TSHR P16473 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.50
STAT3 P40763 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
CREBBP Q92793 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
SCHEMBL31346908 0.85 GAA (0.79) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL8694448 0.82 KMT2A (0.68) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL15652679 0.82 PTGDR2 (0.52) ALDH1A1KDM4EKMT2AGAA
SCHEMBL12479832 0.80 KMT2A (0.73) ALDH1A1KDM4EKMT2AMAPTGFER
SCHEMBL29781911 0.80 KMT2A (0.73) ALDH1A1KDM4EKMT2AMAPTGFER
SCHEMBL12479405 0.80 LMNA (0.68) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13675803 0.79 LMNA (0.56) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL17995258 0.79 NR4A2 (0.69) ALDH1A1KMT2AMAPTNR4A2LMNA
SCHEMBL17023509 0.78 GAA (0.58) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL14876283 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AGAAMAPT

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
US-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed