SCHEMBL9727572

SCHEMBL9727572

CCOC(=O)C1CCCCN1C(=O)Cc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
FKBP1A P62942 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL9727455 0.90 KMT2A (0.55) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727276 0.85 KMT2A (0.53) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727384 0.85 KMT2A (0.67) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727327 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1HPGDPOLB
SCHEMBL9536562 0.83 OPRK1 (0.44) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9727263 0.82 ALDH1A1 (0.48) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727292 0.82 FKBP1A (0.54) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727534 0.81 ALDH1A1 (0.54) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727504 0.80 FKBP1A (0.53) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E
SCHEMBL9727522 0.80 FKBP1A (0.50) KMT2AMEN1FKBP1ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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