SCHEMBL9416623

SCHEMBL9416623

COc1cc(C(=O)N(C)Cc2ccc(OC)c(OCc3ccccc3)c2)ccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
BLM P54132 1/20 0.60
SMPD1 P17405 2/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
RXRA P19793 1/20 0.56
BCHE P06276 1/20 0.56
ACHE P22303 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
SCHEMBL9416662 1.00 HTT (0.61) HTTMEN1KMT2ANPC1HPGD
SCHEMBL17261410 0.84 SMPD1 (0.61) HTTMEN1KMT2ANPC1HPGD
SCHEMBL9416534 0.82 MEN1 (0.64) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL9416643 0.81 KDM4E (0.81) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL9416658 0.81 MEN1 (0.61) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL307913 0.81 HTT (0.62) HTTMEN1KMT2AHPGDBCHE
SCHEMBL6587769 0.80 SMPD1 (0.65) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL4278415 0.79 NPC1 (0.73) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL1029034 0.79 SMPD1 (0.75) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL242563 0.79 MRGPRX4 (0.77) MEN1KMT2ANPC1HPGDRAB9A

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