SCHEMBL5736762

SCHEMBL5736762

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.38
FOLH1 Q04609 2/20 0.38
NAAA Q02083 3/20 0.37
CTSL P07711 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
ELANE P08246 1/20 0.36
HTR2C P28335 1/20 0.36
HPGD P15428 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL5736768 1.00 FKBP1A (0.38) FKBP1AFOLH1NAAACTSLALDH1A1
SCHEMBL5735391 0.83 ALDH1A1 (0.42) FKBP1AFOLH1NAAAALDH1A1TSHR
SCHEMBL5735392 0.83 ALDH1A1 (0.42) FKBP1AFOLH1NAAAALDH1A1TSHR
SCHEMBL5734544 0.78 ALDH1A1 (0.44) FOLH1NAAAALDH1A1TSHRELANE
SCHEMBL5734541 0.78 ALDH1A1 (0.44) FOLH1NAAAALDH1A1TSHRELANE
SCHEMBL5735748 0.77 ELANE (0.38) FOLH1NAAAALDH1A1TSHRELANE
SCHEMBL5735745 0.77 ELANE (0.38) FOLH1NAAAALDH1A1TSHRELANE
SCHEMBL5734431 0.74 MEN1 (0.50) FKBP1AALDH1A1
SCHEMBL5735373 0.74 FOLH1 (0.42) FOLH1NAAAALDH1A1TSHRELANE
SCHEMBL5735371 0.74 FOLH1 (0.42) FOLH1NAAAALDH1A1TSHRELANE

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