SCHEMBL10664751

SCHEMBL10664751

COc1cccc2c(CC(=O)NCc3ccccc3)coc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.62
PSMB5 P28074 1/20 0.62
TP53 P04637 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
TAAR1 Q96RJ0 1/20 0.52
HPGD P15428 3/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL10663650 0.85 PSMB5 (0.52) PSMB8PSMB5TP53MEN1KMT2A
SCHEMBL7948483 0.83 PSMB8 (0.56) PSMB8PSMB5MEN1KMT2AHPGD
SCHEMBL10669534 0.82 PSMB5 (0.49) PSMB8PSMB5HPGDALDH1A1MAPK1
SCHEMBL10664756 0.82 NPC1 (0.56) PSMB8PSMB5TP53MEN1KMT2A
SCHEMBL7956758 0.82 PSMB5 (0.55) PSMB8PSMB5TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL10671160 0.82 PSMB8 (0.55) PSMB8PSMB5MEN1KMT2AHPGD
SCHEMBL4138516 0.80 PSMB5 (0.53) PSMB8PSMB5MEN1KMT2AHPGD
SCHEMBL28465013 0.80 NPC1 (0.81) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL3142808 0.79 PSMB5 (0.52) PSMB8PSMB5MEN1KMT2AHPGD
SCHEMBL10671152 0.79 PSMB5 (0.52) PSMB8PSMB5TP53MEN1KMT2A

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
US-4751306-A Imide intermediates for the preparation of analgesic and/or antagonist octahydrobenzofuroisoquinolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-14 US disclosed