SCHEMBL9416664

SCHEMBL9416664

COc1cc(CNC(=O)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
PKM P14618 1/20 0.69
RAB9A P51151 1/20 0.69
POLB P06746 2/20 0.64
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
BCHE P06276 1/20 0.59
APP P05067 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL18736058 0.88 MTNR1A (0.72) NPC1PKMRAB9APOLBKMT2A
SCHEMBL6376395 0.87 MTNR1A (0.71) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL14027267 0.86 ALDH1A1 (0.72) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL14027269 0.86 ALDH1A1 (0.72) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL5211526 0.85 MTNR1A (0.82) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL6376361 0.84 ALDH1A1 (0.73) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL6377560 0.84 ALDH1A1 (0.73) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL29066085 0.84 MTNR1A (0.62) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL1114985 0.84 NPC1 (0.63) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL31011346 0.84 NPC1 (0.63) NPC1PKMRAB9AKMT2AMEN1

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-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed