SCHEMBL20406366

SCHEMBL20406366

COC(=O)CCc1ccc(Oc2ncccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ VDR P11473 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CCR9 P51686 1/20 0.42
▸ MAPT P10636 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
SCHEMBL20406378 0.86 PDE10A (0.46) TDP1L3MBTL1ADRB2ADRB1MAPT
SCHEMBL20394343 0.85 PDE10A (0.48) TDP1ADRB2ADRB1VDR
SCHEMBL26177275 0.79 GAA (0.50) ALDH1A1TDP1L3MBTL1HTTNPSR1
SCHEMBL20394385 0.78 PDE10A (0.54) KMT2AVDRMAPT
SCHEMBL20406488 0.78 KMT2A (0.59) ALDH1A1TDP1L3MBTL1HTTNPSR1
SCHEMBL4654749 0.76 FFAR1 (0.70) TDP1KMT2A
SCHEMBL1745415 0.75 FFAR1 (0.64) VDR
SCHEMBL2306572 0.73 ITGB3 (0.48) ALDH1A1TDP1L3MBTL1HTTNPSR1
SCHEMBL2306563 0.73 ITGB3 (0.48) ALDH1A1TDP1L3MBTL1HTTNPSR1
SCHEMBL20406614 0.73 FFAR1 (0.54) L3MBTL1

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
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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