SCHEMBL11512939

SCHEMBL11512939

Oc1ccc(COc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.69
STAT3 P40763 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 2/20 0.56
HPGD P15428 3/20 0.54
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TTR P02766 2/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL13321693 0.91 MRGPRX4 (0.71) MRGPRX4STAT3NPC1RAB9APOLB
SCHEMBL13321688 0.84 MRGPRX4 (0.63) MRGPRX4STAT3NPC1RAB9APOLB
SCHEMBL2558867 0.83 MRGPRX4 (0.62) MRGPRX4NPC1RAB9APOLBHPGD
SCHEMBL22480880 0.82 MRGPRX4 (1.00) MRGPRX4NPC1RAB9APOLBHPGD
SCHEMBL1532826 0.79 NPC1 (0.61) MRGPRX4NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14854821 0.77 MRGPRX4 (0.55) MRGPRX4NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL31568468 0.77 MRGPRX4 (1.00) MRGPRX4NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22480615 0.77 MRGPRX4 (1.00) MRGPRX4NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14985920 0.77 ENPP2 (0.55) MRGPRX4NPC1RAB9APOLBHPGD
SCHEMBL22480822 0.77 MRGPRX4 (1.00) MRGPRX4NPC1RAB9APOLBTDP1

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-4169720-A 2-[4-(4-Chlorophenoxymethyl)-phenoxy]-propionic acid compounds as herbicides CELAMERCK GMBH & CO. KG (DE) 1979-10-02 US disclosed