SCHEMBL9727470

SCHEMBL9727470

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.43
XPNPEP1 Q9NQW7 2/20 0.43
ALOX5 P09917 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PDK2 Q15119 1/20 0.40
FKBP1A P62942 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9727520 0.87 PEPD (0.44) PEPDXPNPEP1ALOX5LMNANPSR1
SCHEMBL9741399 0.86 FKBP1A (0.45) LMNAALDH1A1FKBP1A
SCHEMBL9727483 0.79 GAA (0.45) PEPDXPNPEP1NPSR1GAAALDH1A1
SCHEMBL9727508 0.78 ALDH1A1 (0.45) PEPDXPNPEP1ALOX5GAAALDH1A1
SCHEMBL9727448 0.72 PEPD (0.49) PEPDXPNPEP1ALOX5NPSR1GAA
SCHEMBL9727475 0.70 ALDH1A1 (0.52) PEPDXPNPEP1ALOX5NPSR1ALDH1A1
SCHEMBL12569875 0.70 LOX (0.58) GAAALDH1A1PDK2
SCHEMBL9727314 0.70 DPP4 (0.49) ALOX5LMNAALDH1A1FKBP1APOLB
SCHEMBL20471043 0.70 PEPD (0.54) PEPDXPNPEP1LMNAFKBP1APOLB
SCHEMBL13921121 0.70 PEPD (0.54) PEPDXPNPEP1LMNAFKBP1APOLB

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