SCHEMBL9727520

SCHEMBL9727520

COC(=O)C1CCCN1C(=O)C(C)c1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.44
XPNPEP1 Q9NQW7 2/20 0.44
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
DPP4 P27487 2/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALOX5 P09917 1/20 0.40
FKBP1A P62942 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
SCHEMBL9727483 0.89 GAA (0.45) PEPDXPNPEP1NPSR1ALDH1A1KMT2A
SCHEMBL9727470 0.87 PEPD (0.43) PEPDXPNPEP1LMNANPSR1ALDH1A1
SCHEMBL9727448 0.80 PEPD (0.49) PEPDXPNPEP1NPSR1ALDH1A1KMT2A
SCHEMBL9727251 0.75 ALDH1A1 (0.45) ALDH1A1KMT2AFKBP1A
SCHEMBL17040270 0.74 PEPD (0.54) PEPDXPNPEP1LMNAPOLBFKBP1A
SCHEMBL13921121 0.74 PEPD (0.54) PEPDXPNPEP1LMNAPOLBFKBP1A
SCHEMBL20471043 0.74 PEPD (0.54) PEPDXPNPEP1LMNAPOLBFKBP1A
SCHEMBL9741399 0.73 FKBP1A (0.45) LMNAALDH1A1KMT2AFKBP1A
SCHEMBL18620590 0.73 ALDH1A1 (0.46) PEPDXPNPEP1ALDH1A1KMT2A
SCHEMBL22209415 0.73 ALDH1A1 (0.46) PEPDXPNPEP1ALDH1A1KMT2A

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