SCHEMBL11711706

SCHEMBL11711706

Oc1ccccc1COc1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.65
MAPT P10636 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADRB2 P07550 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
TTR P02766 1/20 0.49
PGR P06401 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
HSPA5 P11021 1/20 0.49
CBR1 P16152 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL27911213 0.86 CA1 (0.50) MRGPRX4MAPTHPGDSMN1; SMN2MEN1
SCHEMBL8618574 0.82 MRGPRX4 (0.62) MRGPRX4MAPTHPGDSMN1; SMN2ADRB2
SCHEMBL16015951 0.81 MRGPRX4 (0.61) MRGPRX4
SCHEMBL9615329 0.81 FABP3 (0.57) MRGPRX4MAPTHPGDSMN1; SMN2MEN1
SCHEMBL2561433 0.80 MRGPRX4 (0.60) MRGPRX4MAPTADRB2TDP1SLC6A2
SCHEMBL8783044 0.79 MRGPRX4 (0.80) MRGPRX4ADRB2TDP1CHRM1NPC1
SCHEMBL22480892 0.79 MRGPRX4 (1.00) MRGPRX4MEN1ALDH1A1KMT2ANPC1
SCHEMBL8590603 0.77 MRGPRX4 (0.57) MRGPRX4MAPTHPGDSMN1; SMN2MEN1
SCHEMBL8782195 0.75 MRGPRX4 (0.72) MRGPRX4ADRB2TDP1NPC1RAB9A
SCHEMBL11512939 0.75 MRGPRX4 (0.69) MRGPRX4MAPTHPGDSMN1; SMN2KMT2A

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-4059615-A INSECTICIDE, POLYMER INTERMEDIATE HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-22 US disclosed