SCHEMBL11540797

SCHEMBL11540797

COC(=O)C=C(C)c1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.46
FPR2 P25090 2/20 0.46
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGER4 P35408 2/20 0.41
PTGER2 P43116 1/20 0.41
IGFBP3 P17936 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL11544485 0.88 SCN9A (0.46) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL11545575 0.88 SMN1; SMN2 (0.46) LMNASMN1; SMN2PTGER4PTGER2MEN1
SCHEMBL11545135 0.88 TTR (0.49) NPSR1
SCHEMBL11545459 0.87 F2 (0.43) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL756150 0.82 MAPT (0.53) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL11540799 0.79 SCN9A (0.45) SCN9AFPR2SMN1; SMN2PTGER4IGFBP3
SCHEMBL10277127 0.78 PTGS1 (0.46) LMNAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL10277124 0.78 PTGS1 (0.46) LMNAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL10277125 0.78 PTGS1 (0.46) LMNAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL11540801 0.76 MAOB (0.48) SCN9ALMNASCN8ASCN10A

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