SCHEMBL5733366

SCHEMBL5733366

CC1OC(=O)N(Cc2ccccc2)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
GRM2 Q14416 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMO Q99835 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL5733370 1.00 EHMT2 (0.42) EHMT2BRD4ALDH1A1TDP1KDM4E
SCHEMBL21584135 0.86 TDP1 (0.50) ALDH1A1TDP1KDM4EPOLBAPEX1
SCHEMBL5735391 0.84 ALDH1A1 (0.42) ALDH1A1TDP1GRM2
SCHEMBL5735392 0.84 ALDH1A1 (0.42) ALDH1A1TDP1GRM2
SCHEMBL23420392 0.81 BRD4 (0.39) EHMT2BRD4ALDH1A1TDP1KDM4E
SCHEMBL22222461 0.81 EHMT2 (0.47) EHMT2ALDH1A1TDP1GRM2MEN1
SCHEMBL20794245 0.81 EHMT2 (0.47) EHMT2ALDH1A1TDP1GRM2MEN1
SCHEMBL31372659 0.79 EHMT2 (0.44) EHMT2BRD4ALDH1A1TDP1KDM4E
SCHEMBL21584139 0.79 EHMT2 (0.42) EHMT2BRD4ALDH1A1TDP1GRM2
SCHEMBL23439941 0.79 EHMT2 (0.42) EHMT2BRD4ALDH1A1TDP1GRM2

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
EP-0933379-B1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO (JP) 2006-03-22 EP disclosed
US-6319902-B1 TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT SHIONOGI & CO., LTD. (JP) 2001-11-20 US disclosed
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 EP disclosed