SCHEMBL18190214

SCHEMBL18190214

CC(=O)N(C)[C@@H](CCC[CH]Cc1ccccc1)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADAM17 P78536 4/20 0.40
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ TSHR P16473 4/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL15238932 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBHTTUSP2
SCHEMBL6122973 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTUSP2
SCHEMBL6122824 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHTTUSP2
SCHEMBL6123005 0.78 ADAM17 (0.43) ALDH1A1SMN1; SMN2POLBHTTUSP2
SCHEMBL21114761 0.78 ADAM17 (0.43) ALDH1A1SMN1; SMN2POLBHTTUSP2
SCHEMBL18190216 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBADAM17TRPM8
SCHEMBL16762236 0.75 POLB (0.59) ALDH1A1SMN1; SMN2POLBHTTTRPM8
SCHEMBL15239016 0.72 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBHTTUSP2
SCHEMBL17009266 0.71 CTSK (0.48) ALDH1A1SMN1; SMN2
SCHEMBL28820380 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBHTTUSP2

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
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 — — EP disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 — — WO disclosed
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