SCHEMBL10520643

SCHEMBL10520643

CC(=O)C(=O)N1C(C(=O)OCc2ccccc2)CC2CCCCC21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.52
ACE P12821 6/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL11086011 1.00 FKBP1A (0.52) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL19955370 0.91 FKBP1A (0.51) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL13609888 0.91 FKBP1A (0.51) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL3268475 0.85 FKBP1A (0.50) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL14370435 0.85 ACE (0.54) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL9877388 0.84 FKBP1A (0.49) FKBP1AACEMEN1KMT2ATSHR
SCHEMBL9878033 0.84 FKBP1A (0.49) FKBP1AACEMEN1KMT2ATSHR
SCHEMBL9594309 0.83 ACE (0.52) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL10959623 0.83 ACE (0.52) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL4796474 0.83 ACE (0.51) FKBP1AACEMEN1KMT2AUSP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4818749-A Carboxyalkyl dipeptides and medical use thereof in treating hypertension and congestive heart failure SCHERING CORPORATION (US) 1989-04-04 US disclosed