SCHEMBL9727448

SCHEMBL9727448

COC(=O)C1CCCN1C(=O)C(C)c1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.49
XPNPEP1 Q9NQW7 2/20 0.49
NPSR1 Q6W5P4 1/20 0.42
KCNK3 O14649 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
FKBP1A P62942 1/20 0.41
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9727499 0.85 FKBP1A (0.46) ALDH1A1KMT2AFKBP1AGAA
SCHEMBL9727520 0.80 PEPD (0.44) PEPDXPNPEP1NPSR1ALDH1A1KMT2A
SCHEMBL9727483 0.78 GAA (0.45) PEPDXPNPEP1NPSR1KCNK3ALDH1A1
SCHEMBL9727278 0.76 TSHR (0.54) PEPDXPNPEP1ALDH1A1POLBFKBP1A
SCHEMBL9727462 0.75 FKBP1A (0.48) KCNK3ALDH1A1KMT2AFKBP1A
SCHEMBL17040270 0.74 PEPD (0.54) PEPDXPNPEP1POLBFKBP1A
SCHEMBL13921121 0.74 PEPD (0.54) PEPDXPNPEP1POLBFKBP1A
SCHEMBL20471043 0.74 PEPD (0.54) PEPDXPNPEP1POLBFKBP1A
SCHEMBL6783107 0.74 ACE (0.57) PEPD
SCHEMBL6783112 0.74 ACE (0.57) PEPD

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
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed