SCHEMBL21889706

SCHEMBL21889706

CCC(C)(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.35
BTK Q06187 2/20 0.34
EGFR P00533 4/20 0.34
CNR2 P34972 5/20 0.33
CDK7 P50613 1/20 0.33
CDK13 Q14004 1/20 0.33
ERBB2 P04626 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15600841 0.84 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL19442310 0.82 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL19669736 0.82 MEN1 (0.45) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL21889962 0.82 KMT2A (0.46) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL27451922 0.78 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL14079971 0.78 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL27451925 0.78 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL20927103 0.77 HTT (0.49) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL27451650 0.76 MEN1 (0.42) MEN1KMT2ASMN1; SMN2KDM4EBTK
SCHEMBL27451649 0.76 MEN1 (0.42) MEN1KMT2ASMN1; SMN2KDM4EBTK

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
WO-2020055973-A1 ESTROGEN RECEPTOR TARGETING ANTAGONISTS XAVIER UNIVERSITY OF LOUISIANA (US) 2020-03-19 WO disclosed