SCHEMBL10709019

SCHEMBL10709019

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.68
EPHX2 P34913 2/20 0.55
PRCP P42785 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL23565690 0.97 FKBP1A (0.64) FKBP1AEPHX2PRCPSMN1; SMN2ALDH1A1
SCHEMBL11096695 0.94 MEN1 (0.61) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28628871 0.94 MEN1 (0.61) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28622807 0.88 CYP3A4 (0.57) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4366597 0.87 ALDH1A1 (0.64) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6508896 0.87 ALDH1A1 (0.64) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5173012 0.87 ALDH1A1 (0.64) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12972657 0.86 ALDH1A1 (0.59) FKBP1APRCPSMN1; SMN2ALDH1A1MEN1
SCHEMBL18555855 0.86 FKBP1A (0.71) FKBP1AEPHX2PRCPMEN1KMT2A
SCHEMBL31420576 0.85 PRCP (0.58) FKBP1APRCPSMN1; SMN2ALDH1A1MEN1

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-4767744-A Substituted tyrosyl methionyl dipeptide amides G. D. SEARLE & CO. (US) 1988-08-30 US disclosed
US-4450155-A DERIVATIVES OF TYROSINE-PROLINE POLYPEPTIDES STERLING DRUG INC. (US) 1984-05-22 US disclosed