SCHEMBL10685864

SCHEMBL10685864

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ PTGER4 P35408 2/20 0.42
▸ PTGER2 P43116 1/20 0.41

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
SCHEMBL10686046 0.86 MRGPRX4 (0.69) MRGPRX4MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL22469704 0.83 MRGPRX4 (0.72) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL3505628 0.81 MRGPRX4 (0.54) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL10673556 0.81 MRGPRX4 (0.67) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL27489857 0.80 L3MBTL1 (0.59) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL3505843 0.77 ALDH1A1 (0.70) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL698948 0.77 TSHR (0.52) MRGPRX4MEN1MAPTKMT2ANPC1
SCHEMBL27534851 0.76 TTR (0.54) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL10685122 0.75 TDP1 (0.74) MEN1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL2436534 0.75 L3MBTL1 (0.65) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1

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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