SCHEMBL9727467

SCHEMBL9727467

COC(=O)C1CCCN1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
DPP4 P27487 2/20 0.46
OPRK1 P41145 3/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
FKBP1A P62942 2/20 0.42
ALOX5 P09917 1/20 0.42
ACE P12821 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK5 Q9Y337 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
SCHEMBL9727517 0.88 ALDH1A1 (0.55) ALDH1A1DPP4SMN1; SMN2ALOX5ACE
SCHEMBL9727478 0.87 ALDH1A1 (0.51) ALDH1A1DPP4OPRK1LMNARAB9A
SCHEMBL9727271 0.84 ALDH1A1 (0.61) ALDH1A1
SCHEMBL9727276 0.84 KMT2A (0.53) ALDH1A1OPRK1SMN1; SMN2POLBFKBP1A
SCHEMBL9727327 0.84 ALDH1A1 (0.54) ALDH1A1DPP4OPRK1LMNARAB9A
SCHEMBL9536801 0.81 POLB (0.39) OPRK1POLB
SCHEMBL9727314 0.81 DPP4 (0.49) ALDH1A1DPP4LMNARAB9ASMN1; SMN2
SCHEMBL9727501 0.80 KMT2A (0.58) ALDH1A1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL9727472 0.79 ALDH1A1 (0.47) ALDH1A1DPP4LMNARAB9ASMN1; SMN2
SCHEMBL30546740 0.78 P2RX7 (0.61) ALDH1A1DPP4SMN1; SMN2PKML3MBTL1

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