SCHEMBL5735745

SCHEMBL5735745

CC1OC(=O)N(CCCC=O)C1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
ADORA1 P30542 1/20 0.37
NAAA Q02083 2/20 0.37
FOLH1 Q04609 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2C P28335 1/20 0.36
HPGD P15428 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL5735748 1.00 ELANE (0.38) ELANEADORA1NAAAFOLH1TSHR
SCHEMBL5735391 0.83 ALDH1A1 (0.42) ELANENAAAFOLH1TSHRALDH1A1
SCHEMBL5735392 0.83 ALDH1A1 (0.42) ELANENAAAFOLH1TSHRALDH1A1
SCHEMBL5734541 0.80 ALDH1A1 (0.44) ELANEADORA1NAAAFOLH1TSHR
SCHEMBL5734544 0.80 ALDH1A1 (0.44) ELANEADORA1NAAAFOLH1TSHR
SCHEMBL5736768 0.77 FKBP1A (0.38) ELANENAAAFOLH1TSHRALDH1A1
SCHEMBL5736762 0.77 FKBP1A (0.38) ELANENAAAFOLH1TSHRALDH1A1
SCHEMBL5734431 0.74 MEN1 (0.50) ALDH1A1
SCHEMBL5735371 0.74 FOLH1 (0.42) ELANENAAAFOLH1TSHRALDH1A1
SCHEMBL5735373 0.74 FOLH1 (0.42) ELANENAAAFOLH1TSHRALDH1A1

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