SCHEMBL5734541

SCHEMBL5734541

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
FOLH1 Q04609 2/20 0.43
NAAA Q02083 2/20 0.43
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
ELANE P08246 2/20 0.41
HPGD P15428 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL5734544 1.00 ALDH1A1 (0.44) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5735392 0.84 ALDH1A1 (0.42) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5735391 0.84 ALDH1A1 (0.42) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5735373 0.82 FOLH1 (0.42) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5735371 0.82 FOLH1 (0.42) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL27486689 0.81 ALDH1A1 (0.44) ALDH1A1NAAATSHRHTR2CFABP7
SCHEMBL5735745 0.80 ELANE (0.38) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5735748 0.80 ELANE (0.38) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5736762 0.78 FKBP1A (0.38) ALDH1A1FOLH1NAAATSHRHTR2C
SCHEMBL5736768 0.78 FKBP1A (0.38) ALDH1A1FOLH1NAAATSHRHTR2C

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