SCHEMBL9681745

SCHEMBL9681745

Cc1ccc2oc(OCC(=O)N(OCc3ccccc3)C(C)C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CASP3 P42574 3/20 0.38
RAB9A P51151 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
HPGD P15428 2/20 0.38
SENP8 Q96LD8 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38

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
SCHEMBL9682007 0.92 TLR4 (0.41) XDHKDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL9682057 0.89 ELANE (0.42) XDHPPARDPPARAELANE
SCHEMBL9408698 0.83 XDH (0.40) XDHMEN1KMT2ARAB9ANPC1
SCHEMBL9403541 0.82 MEN1 (0.48) XDHPPARDPPARAKDM4ECRHBP
SCHEMBL9682723 0.79 TLR4 (0.39) XDHSMN1; SMN2POLBMAPTCETP
SCHEMBL9682031 0.78 PPARD (0.42) XDHPPARDPPARAKDM4ECRHBP
SCHEMBL9682027 0.78 XDH (0.41) XDHPPARDPPARAKDM4ESMN1; SMN2
SCHEMBL9680790 0.75 ELANE (0.40) XDHPPARDPPARAELANE
SCHEMBL8105871 0.74 SMN1; SMN2 (0.43) KDM4EMEN1KMT2ASMN1; SMN2CASP3
SCHEMBL8105868 0.74 SMN1; SMN2 (0.43) KDM4EMEN1KMT2ASMN1; SMN2CASP3

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-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP disclosed