SCHEMBL9682031

SCHEMBL9682031

Cc1ccc2oc(OCC(=O)ON(Cc3ccccc3)C(C)C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
XDH P47989 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
SENP8 Q96LD8 1/20 0.38
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CETP P11597 1/20 0.38
CEPT1 Q9Y6K0 1/20 0.38
HDAC6 Q9UBN7 2/20 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
SCHEMBL9681745 0.78 XDH (0.41) PPARDPPARAXDHALDH1A1SMN1; SMN2
SCHEMBL9403541 0.78 MEN1 (0.48) PPARDPPARAXDHALDH1A1SMN1; SMN2
SCHEMBL9682027 0.74 XDH (0.41) PPARDPPARAXDHALDH1A1SMN1; SMN2
SCHEMBL9682007 0.71 TLR4 (0.41) XDHALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8105871 0.68 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8105868 0.68 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9682723 0.67 TLR4 (0.39) XDHSMN1; SMN2POLBMAPTCETP
SCHEMBL2538918 0.66 KDM4E (0.52) XDHALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL28689673 0.66 TP53 (0.46) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL9682057 0.66 ELANE (0.42) PPARDPPARAXDH

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 claimed