SCHEMBL27733772

SCHEMBL27733772

CCC(C)C(=O)O.O=S(=O)(c1ccccc1)n1ccc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.51
▸ POLB P06746 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PPARG P37231 5/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ PPARA Q07869 4/20 0.48
▸ PPARD Q03181 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL428128 0.84 HTR6 (0.68) HTR6POLBL3MBTL1PPARGHDAC3
Ethoxycarbonyl Group SCHEMBL28823657 0.79 HTR6 (0.55) HTR6POLBL3MBTL1PPARGHDAC3
SCHEMBL947751 0.77 HTR6 (0.63) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL27733954 0.77 ITGB3 (0.37) HTR6PPARGHDAC3HDAC4HDAC1
SCHEMBL28770820 0.77 GRIK1 (0.39) HTR6POLBL3MBTL1PPARGHDAC3
SCHEMBL27713413 0.76 SMPD2 (0.42) HTR6PPARGPPARAPPARD
SCHEMBL19268814 0.76 HTR6 (0.66) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL27733854 0.75 HTR6 (0.38) HTR6POLBPPARGHDAC3HDAC4
SCHEMBL19181960 0.74 HTR6 (0.47) HTR6POLBL3MBTL1PPARGHDAC3
SCHEMBL27833770 0.74 PPARG (0.35) HTR6PPARGHDAC3HDAC4HDAC1

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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