SCHEMBL11545135

SCHEMBL11545135

COC(=O)C=C(C)c1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.49
▸ FFAR1 O14842 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PNLIP P16233 5/20 0.45
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ STK39 Q9UEW8 1/20 0.43
▸ ADRB2 P07550 1/20 0.43

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
SCHEMBL11540797 0.88 SCN9A (0.46) NPSR1
SCHEMBL11544501 0.87 FFAR1 (0.53) TTRFFAR1TDP1MRGPRX4MAPT
SCHEMBL11544620 0.86 FFAR1 (0.48) TTRFFAR1TDP1MRGPRX4MAPT
SCHEMBL28275126 0.81 TDP1 (0.60) TTRFFAR1TDP1MRGPRX4MAPT
SCHEMBL1283828 0.81 FFAR1 (0.57) TTRFFAR1TDP1MRGPRX4MAPT
SCHEMBL10277125 0.80 PTGS1 (0.46) MAPTRAB9A
SCHEMBL10277127 0.80 PTGS1 (0.46) MAPTRAB9A
SCHEMBL10277124 0.80 PTGS1 (0.46) MAPTRAB9A
SCHEMBL11487617 0.79 FFAR1 (0.48) TTRFFAR1TDP1MRGPRX4MAPT
SCHEMBL11487620 0.79 FFAR1 (0.48) TTRFFAR1TDP1MRGPRX4MAPT

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
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 — — US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 — — US disclosed
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