Sugi Predict

Sugi Predict / Compounds / SCHEMBL28041163

SCHEMBL28041163

SCHEMBL28041163

O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 1.00
▸ CNR2 P34972 6/20 1.00
▸ MTNR1A P48039 1/20 0.57
▸ MTNR1B P49286 1/20 0.57
▸ EPHX2 P34913 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7379230 0.84 CNR1 (0.72) CNR1CNR2HTTSMN1; SMN2
SCHEMBL5947652 0.79 EPHX2 (0.81) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL6435664 0.79 CNR1 (0.75) CNR1CNR2HTTSMN1; SMN2
SCHEMBL9461596 0.77 CNR1 (0.62) CNR1CNR2HTTSMN1; SMN2
SCHEMBL8248986 0.77 CNR1 (0.72) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL2847316 0.76 HDAC4 (0.81) CNR1CNR2
SCHEMBL2726416 0.76 MTNR1A (0.72) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL20490389 0.76 HDAC7 (0.63) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL6432979 0.75 CNR1 (0.69) CNR1CNR2HTTSMN1; SMN2
SCHEMBL9832121 0.75 CNR1 (0.69) CNR1CNR2HTTSMN1; SMN2

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
CN-103936537-B A kind of phenol of golden catalysis and the selectivity c h bond functionalization method of aniline EAST CHINA NORMAL UNIVERSITY (CN) 2015-10-28 — — CN disclosed