SCHEMBL9727455

SCHEMBL9727455

CCOC(=O)C1CCCCN1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.55
GAA P10253 1/20 0.54
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 3/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
FKBP1A P62942 3/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
DRD1 P21728 1/20 0.46

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
SCHEMBL9727384 0.92 KMT2A (0.67) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727572 0.90 KMT2A (0.49) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727276 0.88 KMT2A (0.53) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727517 0.84 ALDH1A1 (0.55) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8875071 0.84 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727534 0.84 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727263 0.83 ALDH1A1 (0.48) KMT2ASMN1; SMN2MEN1KDM4EALDH1A1
SCHEMBL9538257 0.83 KMT2A (0.49) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8876156 0.83 KMT2A (0.52) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL9727292 0.83 FKBP1A (0.54) KMT2ASMN1; SMN2MEN1KDM4EALDH1A1

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