SCHEMBL8022472

SCHEMBL8022472

CC=C(Oc1cccc(CC=NO)c1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 1/20 0.39
ACHE P22303 2/20 0.37
CYP1A2 P05177 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8022470 0.90 CTBP2 (0.37) CTBP2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8020928 0.87 CTBP2 (0.43) CTBP2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7688667 0.81 MTNR1A (0.44) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL8020925 0.81 CTBP2 (0.43) CTBP2MEN1KMT2AALDH1A1ACHE
SCHEMBL8022702 0.79 PTGS1 (0.35) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7695022 0.75 LMNA (0.57) MEN1KMT2AALDH1A1SMN1; SMN2ACHE
SCHEMBL8486182 0.74 CES2 (0.41) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL7777015 0.72 FFAR1 (0.41) CTBP2ALDH1A1
SCHEMBL8026284 0.72 NPC1 (0.54) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL7688665 0.71 CYP4F2 (0.40) MTNR1AMTNR1BMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed