SCHEMBL25933668

SCHEMBL25933668

O=COc1ccc(C2(c3ccc(OP(=O)(Oc4ccccc4)Oc4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SRC P12931 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL25933566 0.90 MEN1 (0.49) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL21900401 0.80 MAPT (0.45) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL15946231 0.80 PKM (0.46) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL9160237 0.76 MEN1 (0.46) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL9973246 0.75 SRC (0.53) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL15457022 0.75 PKM (0.46) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL15127228 0.75 MEN1 (0.40) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL22580553 0.72 MEN1 (0.57) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL22215944 0.72 KMT2A (0.49) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL4140226 0.71 MEN1 (0.52) MEN1KMT2AKDM4ESMN1; SMN2LMNA

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
US-20230242830-A1 USE OF OILS COMPRISING NON-NEUROTOXIC ANTI-WEAR ADDITIVES NYCO (FR) 2023-08-03 US disclosed