SCHEMBL10686046

SCHEMBL10686046

O=C(O)c1cccc(Oc2ccc(C(F)F)cc2Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.69
▸ KMO O15229 1/20 0.55
▸ AKR1C3 P42330 1/20 0.51
▸ PTGER4 P35408 2/20 0.47
▸ PTGER2 P43116 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NR4A2 P43354 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TTR P02766 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10685864 0.86 MRGPRX4 (0.51) MRGPRX4PTGER4PTGER2MEN1MAPT
SCHEMBL10668436 0.82 MRGPRX4 (1.00) MRGPRX4KMOAKR1C3MEN1MAPT
SCHEMBL31568461 0.82 MRGPRX4 (1.00) MRGPRX4KMOAKR1C3MEN1MAPT
SCHEMBL29103540 0.80 MRGPRX4 (0.74) MRGPRX4KMOAKR1C3MAPTKMT2A
SCHEMBL30740807 0.80 MRGPRX4 (0.74) MRGPRX4KMOAKR1C3MAPTKMT2A
SCHEMBL10674162 0.80 MRGPRX4 (0.74) MRGPRX4KMOAKR1C3MEN1MAPT
SCHEMBL3791436 0.79 MRGPRX4 (0.69) MRGPRX4KMOAKR1C3MEN1KMT2A
SCHEMBL30278570 0.79 MRGPRX4 (0.69) MRGPRX4KMOAKR1C3MEN1KMT2A
SCHEMBL11151654 0.79 MRGPRX4 (0.73) MRGPRX4KMOAKR1C3MEN1KMT2A
SCHEMBL22480945 0.79 MRGPRX4 (0.76) MRGPRX4MEN1MAPTKMT2AHTT

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-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 — — US disclosed
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