SCHEMBL10692369

SCHEMBL10692369

O=C(O)OC1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 7/20 0.51
MEN1 O00255 2/20 0.49
EPHX2 P34913 1/20 0.49
LTA4H P09960 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10690170 0.91 KMT2A (0.50) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL10692724 0.88 HRH3 (0.49) KMT2AKDM4EALDH1A1LMNAGAA
Oxalic Acid SCHEMBL10695599 0.86 KDM4E (0.59) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL10697150 0.86 KDM4E (0.56) KMT2AKDM4EALDH1A1LMNAGAA
Oxalic Acid SCHEMBL10692238 0.81 KDM4E (0.55) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL10690668 0.78 HRH3 (0.53) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL7415229 0.74 KMT2A (0.61) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL9532091 0.74 HRH3 (0.50) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL10697040 0.74 KDM4E (0.67) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL9834622 0.73 KMT2A (0.58) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed