SCHEMBL7756209

SCHEMBL7756209

CCOC(=O)C(C)(OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
FAAH O00519 2/20 0.44
MGLL Q99685 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
ALDH1A1 P00352 2/20 0.42
FFAR1 O14842 2/20 0.41
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.41
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
SRD5A2 P31213 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7759387 0.90 NPC1 (0.47) SMN1; SMN2HPGDRAB9AALDH1A1POLB
SCHEMBL7761165 0.89 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AFAAHMGLL
SCHEMBL7756146 0.83 NPC1 (0.49) SMN1; SMN2MEN1KMT2AHPGDRAB9A
SCHEMBL1972122 0.81 BCL9 (0.51) SMN1; SMN2MEN1KMT2AMGLLBCL9
SCHEMBL7759913 0.78 ELANE (0.45) SMN1; SMN2MEN1KMT2AHPGDRAB9A
SCHEMBL8816649 0.75 ALDH1A1 (0.52) SMN1; SMN2KMT2AMGLLKDM4EBCL9
SCHEMBL395369 0.75 ALDH1A1 (0.56) SMN1; SMN2KMT2AKDM4ERAB9ABCL9
SCHEMBL278663 0.75 BCL9 (0.62) SMN1; SMN2MEN1KMT2AMGLLHPGD
SCHEMBL9485717 0.73 HSPB1 (0.53) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL1118843 0.73 ALDH1A1 (0.50) SMN1; SMN2KMT2AMGLLKDM4EBCL9

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-1092712-A1 Process for preparing fungicidal oxazolidinones and imidazolinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-18 EP disclosed