SCHEMBL9727327

SCHEMBL9727327

COC(=O)C1CCCN1C(=O)Cc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
DPP4 P27487 2/20 0.46
OPRK1 P41145 3/20 0.44
ALOX5 P09917 1/20 0.43
ACE P12821 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KLK5 Q9Y337 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9727517 0.89 ALDH1A1 (0.55) ALDH1A1DPP4ALOX5ACESMN1; SMN2
SCHEMBL9727572 0.85 KMT2A (0.49) ALDH1A1OPRK1SMN1; SMN2POLBMAPK1
SCHEMBL9727467 0.84 ALDH1A1 (0.55) ALDH1A1DPP4OPRK1ALOX5ACE
SCHEMBL9727501 0.84 KMT2A (0.58) ALDH1A1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL9534996 0.82 OPRK1 (0.40) OPRK1HPGD
SCHEMBL9727478 0.79 ALDH1A1 (0.51) ALDH1A1DPP4OPRK1LMNARAB9A
SCHEMBL9727271 0.79 ALDH1A1 (0.61) ALDH1A1
SCHEMBL9727314 0.78 DPP4 (0.49) ALDH1A1DPP4ALOX5ACELMNA
SCHEMBL10509005 0.77 ACE (0.59) ALDH1A1ALOX5ACEMAPK1L3MBTL1
SCHEMBL6639156 0.77 ACE (0.59) ALDH1A1ALOX5ACEMAPK1L3MBTL1

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