SCHEMBL9568616

SCHEMBL9568616

CCCCCOc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
KDM4E B2RXH2 5/20 0.66
LMNA P02545 5/20 0.66
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
MCHR1 Q99705 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GAA P10253 2/20 0.66
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL16114005 0.98 MCHR1 (0.67) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL9632939 0.98 MCHR1 (0.67) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL10647335 0.98 MCHR1 (0.67) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL18691791 0.98 MCHR1 (0.67) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2484185 0.95 MAPT (0.68) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2484526 0.90 MAPT (0.66) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL9244419 0.84 MAPT (0.54) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2487839 0.83 RAB9A (0.63) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL28900561 0.83 RAB9A (0.63) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2485359 0.83 RAB9A (0.75) MAPTKDM4ELMNARAB9ANPC1

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-0540279-A1 Process for preparing sugar esters UNILEVER PLC (GB) 1993-05-05 EP disclosed
US-3895070-A Process for the preparation of ketones SUNTORY LTD 1975-07-15 US disclosed